2-cyano-5-[[2-hydroxy-3-[[4-(hydroxymethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1H-pyrrole-3-carboxamide;4-[(4,5-dicyano-1H-pyrrol-2-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;4-[(4-formyl-1H-pyrazol-5-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-pyrimidin-2-ylbenzimidazol-2-yl)diazenyl]naphthalene-2-carboxamide

C99H72N24O14 — CID 158212474

IUPAC2-cyano-5-[[2-hydroxy-3-[[4-(hydroxymethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1H-pyrrole-3-carboxamide;4-[(4,5-dicyano-1H-pyrrol-2-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;4-[(4-formyl-1H-pyrazol-5-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-pyrimidin-2-ylbenzimidazol-2-yl)diazenyl]naphthalene-2-carboxamide
SMILESN#Cc1[nH]c(/N=N/c2c(O)c(C(=O)Nc3ccc(CO)cc3)cc3ccccc23)cc1C(N)=O.N#Cc1cc(/N=N/c2c(O)c(C(=O)Nc3ccc(CO)cc3)cc3ccccc23)[nH]c1C#N.O=C(Nc1ccc(CO)cc1)c1cc2ccccc2c(/N=N/c2nc3ccccc3n2-c2ncccn2)c1O.O=Cc1cn[nH]c1/N=N/c1c(O)c(C(=O)Nc2ccc(CO)cc2)cc2ccccc12
InChIInChI=1S/C29H21N7O3.C24H18N6O4.C24H16N6O3.C22H17N5O4/c37-17-18-10-12-20(13-11-18)32-27(39)22-16-19-6-1-2-7-21(19)25(26(22)38)34-35-29-33-23-8-3-4-9-24(23)36(29)28-30-14-5-15-31-28;25-11-19-17(23(26)33)10-20(28-19)29-30-21-16-4-2-1-3-14(16)9-18(22(21)32)24(34)27-15-7-5-13(12-31)6-8-15;25-11-16-10-21(28-20(16)12-26)29-30-22-18-4-2-1-3-15(18)9-19(23(22)32)24(33)27-17-7-5-14(13-31)6-8-17;28-11-13-5-7-16(8-6-13)24-22(31)18-9-14-3-1-2-4-17(14)19(20(18)30)25-27-21-15(12-29)10-23-26-21/h1-16,37-38H,17H2,(H,32,39);1-10,28,31-32H,12H2,(H2,26,33)(H,27,34);1-10,28,31-32H,13H2,(H,27,33);1-10,12,28,30H,11H2,(H,23,26)(H,24,31)/b35-34+;2*30-29+;27-25+
InChIKeyGCFYXCDXAWMBJW-BPPRGYEHSA-N
MW1821.82 g/mol
LogP18.86
Rot. Bonds23

About 2-cyano-5-[[2-hydroxy-3-[[4-(hydroxymethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1H-pyrrole-3-carboxamide;4-[(4,5-dicyano-1H-pyrrol-2-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;4-[(4-formyl-1H-pyrazol-5-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-pyrimidin-2-ylbenzimidazol-2-yl)diazenyl]naphthalene-2-carboxamide

2-cyano-5-[[2-hydroxy-3-[[4-(hydroxymethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1H-pyrrole-3-carboxamide;4-[(4,5-dicyano-1H-pyrrol-2-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;4-[(4-formyl-1H-pyrazol-5-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-pyrimidin-2-ylbenzimidazol-2-yl)diazenyl]naphthalene-2-carboxamide (PubChem CID 158212474) has the molecular formula C99H72N24O14 and a molecular weight of 1821.82 g/mol. Its IUPAC name is 2-cyano-5-[[2-hydroxy-3-[[4-(hydroxymethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1H-pyrrole-3-carboxamide;4-[(4,5-dicyano-1H-pyrrol-2-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;4-[(4-formyl-1H-pyrazol-5-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-pyrimidin-2-ylbenzimidazol-2-yl)diazenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name2-cyano-5-[[2-hydroxy-3-[[4-(hydroxymethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1H-pyrrole-3-carboxamide;4-[(4,5-dicyano-1H-pyrrol-2-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;4-[(4-formyl-1H-pyrazol-5-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-pyrimidin-2-ylbenzimidazol-2-yl)diazenyl]naphthalene-2-carboxamide
PubChem CID158212474
Molecular FormulaC99H72N24O14
Molecular Weight1821.82 g/mol
Exact Mass1820.57
IUPAC Name2-cyano-5-[[2-hydroxy-3-[[4-(hydroxymethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1H-pyrrole-3-carboxamide;4-[(4,5-dicyano-1H-pyrrol-2-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;4-[(4-formyl-1H-pyrazol-5-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-pyrimidin-2-ylbenzimidazol-2-yl)diazenyl]naphthalene-2-carboxamide
SMILESN#Cc1[nH]c(/N=N/c2c(O)c(C(=O)Nc3ccc(CO)cc3)cc3ccccc23)cc1C(N)=O.N#Cc1cc(/N=N/c2c(O)c(C(=O)Nc3ccc(CO)cc3)cc3ccccc23)[nH]c1C#N.O=C(Nc1ccc(CO)cc1)c1cc2ccccc2c(/N=N/c2nc3ccccc3n2-c2ncccn2)c1O.O=Cc1cn[nH]c1/N=N/c1c(O)c(C(=O)Nc2ccc(CO)cc2)cc2ccccc12
InChIInChI=1S/C29H21N7O3.C24H18N6O4.C24H16N6O3.C22H17N5O4/c37-17-18-10-12-20(13-11-18)32-27(39)22-16-19-6-1-2-7-21(19)25(26(22)38)34-35-29-33-23-8-3-4-9-24(23)36(29)28-30-14-5-15-31-28;25-11-19-17(23(26)33)10-20(28-19)29-30-21-16-4-2-1-3-14(16)9-18(22(21)32)24(34)27-15-7-5-13(12-31)6-8-15;25-11-16-10-21(28-20(16)12-26)29-30-22-18-4-2-1-3-15(18)9-19(23(22)32)24(33)27-17-7-5-14(13-31)6-8-17;28-11-13-5-7-16(8-6-13)24-22(31)18-9-14-3-1-2-4-17(14)19(20(18)30)25-27-21-15(12-29)10-23-26-21/h1-16,37-38H,17H2,(H,32,39);1-10,28,31-32H,12H2,(H2,26,33)(H,27,34);1-10,28,31-32H,13H2,(H,27,33);1-10,12,28,30H,11H2,(H,23,26)(H,24,31)/b35-34+;2*30-29+;27-25+
InChIKeyGCFYXCDXAWMBJW-BPPRGYEHSA-N
XLogP18.86
TPSA612.51 Ų
H-Bond Donors16
H-Bond Acceptors30
Rotatable Bonds23
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001821.82
LogP ≤ 518.86
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-cyano-5-[[2-hydroxy-3-[[4-(hydroxymethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1H-pyrrole-3-carboxamide;4-[(4,5-dicyano-1H-pyrrol-2-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;4-[(4-formyl-1H-pyrazol-5-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-pyrimidin-2-ylbenzimidazol-2-yl)diazenyl]naphthalene-2-carboxamide with MolForge

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Related Compounds

2-amino-1-[[6-[4-[[3-[(2-ethylanilino)oxymethyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[(2-ethylphenyl)carbamoyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]-3-pyridinyl]diazenyl]-N-(2-ethylphenyl)-11H-benzo[a]carbazole-3-carboxamide
CID 22964780
N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-5-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[(3-isocyano-1-pyrimidin-2-ylpyrrol-2-yl)diazenyl]naphthalene-2-carboxamide
CID 58301098
N-[3,5-bis[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
CID 58527874
N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-5-[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[(3-cyano-1-pyrimidin-2-ylpyrrol-2-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide
CID 88848757
Methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate
CID 123221134
N-(3-acetylphenyl)-7-[5-[[4-[(4-cyano-1-pyrazin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-2-hydroxyphenyl]-4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxynaphthalene-2-carboxamide
CID 123364532
N-[3-[[4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]-5-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide
CID 123885262
N-(9-ethylcarbazol-3-yl)-3-hydroxy-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide
CID 136129929
4-[[1-(1H-benzimidazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 136130010
N-(9-ethylcarbazol-3-yl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide
CID 136130027
4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(9-ethylcarbazol-3-yl)-3-hydroxynaphthalene-2-carboxamide
CID 136133025
2-hydroxy-3-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(9-methylcarbazol-2-yl)naphthalene-1-carboxamide
CID 136175367

Frequently Asked Questions

What is the IUPAC name of 2-cyano-5-[[2-hydroxy-3-[[4-(hydroxymethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1H-pyrrole-3-carboxamide;4-[(4,5-dicyano-1H-pyrrol-2-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;4-[(4-formyl-1H-pyrazol-5-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-pyrimidin-2-ylbenzimidazol-2-yl)diazenyl]naphthalene-2-carboxamide?
The IUPAC name of 2-cyano-5-[[2-hydroxy-3-[[4-(hydroxymethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1H-pyrrole-3-carboxamide;4-[(4,5-dicyano-1H-pyrrol-2-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;4-[(4-formyl-1H-pyrazol-5-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-pyrimidin-2-ylbenzimidazol-2-yl)diazenyl]naphthalene-2-carboxamide (CID 158212474) is 2-cyano-5-[[2-hydroxy-3-[[4-(hydroxymethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1H-pyrrole-3-carboxamide;4-[(4,5-dicyano-1H-pyrrol-2-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;4-[(4-formyl-1H-pyrazol-5-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-pyrimidin-2-ylbenzimidazol-2-yl)diazenyl]naphthalene-2-carboxamide.
What is the SMILES notation for 2-cyano-5-[[2-hydroxy-3-[[4-(hydroxymethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1H-pyrrole-3-carboxamide;4-[(4,5-dicyano-1H-pyrrol-2-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;4-[(4-formyl-1H-pyrazol-5-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-pyrimidin-2-ylbenzimidazol-2-yl)diazenyl]naphthalene-2-carboxamide?
The canonical SMILES for 2-cyano-5-[[2-hydroxy-3-[[4-(hydroxymethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1H-pyrrole-3-carboxamide;4-[(4,5-dicyano-1H-pyrrol-2-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;4-[(4-formyl-1H-pyrazol-5-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-pyrimidin-2-ylbenzimidazol-2-yl)diazenyl]naphthalene-2-carboxamide is N#Cc1[nH]c(/N=N/c2c(O)c(C(=O)Nc3ccc(CO)cc3)cc3ccccc23)cc1C(N)=O.N#Cc1cc(/N=N/c2c(O)c(C(=O)Nc3ccc(CO)cc3)cc3ccccc23)[nH]c1C#N.O=C(Nc1ccc(CO)cc1)c1cc2ccccc2c(/N=N/c2nc3ccccc3n2-c2ncccn2)c1O.O=Cc1cn[nH]c1/N=N/c1c(O)c(C(=O)Nc2ccc(CO)cc2)cc2ccccc12.
What is the InChIKey of 2-cyano-5-[[2-hydroxy-3-[[4-(hydroxymethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1H-pyrrole-3-carboxamide;4-[(4,5-dicyano-1H-pyrrol-2-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;4-[(4-formyl-1H-pyrazol-5-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-pyrimidin-2-ylbenzimidazol-2-yl)diazenyl]naphthalene-2-carboxamide?
The InChIKey is GCFYXCDXAWMBJW-BPPRGYEHSA-N. The full InChI is InChI=1S/C29H21N7O3.C24H18N6O4.C24H16N6O3.C22H17N5O4/c37-17-18-10-12-20(13-11-18)32-27(39)22-16-19-6-1-2-7-21(19)25(26(22)38)34-35-29-33-23-8-3-4-9-24(23)36(29)28-30-14-5-15-31-28;25-11-19-17(23(26)33)10-20(28-19)29-30-21-16-4-2-1-3-14(16)9-18(22(21)32)24(34)27-15-7-5-13(12-31)6-8-15;25-11-16-10-21(28-20(16)12-26)29-30-22-18-4-2-1-3-15(18)9-19(23(22)32)24(33)27-17-7-5-14(13-31)6-8-17;28-11-13-5-7-16(8-6-13)24-22(31)18-9-14-3-1-2-4-17(14)19(20(18)30)25-27-21-15(12-29)10-23-26-21/h1-16,37-38H,17H2,(H,32,39);1-10,28,31-32H,12H2,(H2,26,33)(H,27,34);1-10,28,31-32H,13H2,(H,27,33);1-10,12,28,30H,11H2,(H,23,26)(H,24,31)/b35-34+;2*30-29+;27-25+.
What are the key properties of 2-cyano-5-[[2-hydroxy-3-[[4-(hydroxymethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1H-pyrrole-3-carboxamide;4-[(4,5-dicyano-1H-pyrrol-2-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;4-[(4-formyl-1H-pyrazol-5-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-pyrimidin-2-ylbenzimidazol-2-yl)diazenyl]naphthalene-2-carboxamide?
2-cyano-5-[[2-hydroxy-3-[[4-(hydroxymethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1H-pyrrole-3-carboxamide;4-[(4,5-dicyano-1H-pyrrol-2-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;4-[(4-formyl-1H-pyrazol-5-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-pyrimidin-2-ylbenzimidazol-2-yl)diazenyl]naphthalene-2-carboxamide has a molecular weight of 1821.82 g/mol, XLogP of 18.86, 23 rotatable bonds, 16 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-5-[[2-hydroxy-3-[[4-(hydroxymethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1H-pyrrole-3-carboxamide;4-[(4,5-dicyano-1H-pyrrol-2-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;4-[(4-formyl-1H-pyrazol-5-yl)diazenyl]-3-hydroxy-N-[4-(hydroxymethyl)phenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(1-pyrimidin-2-ylbenzimidazol-2-yl)diazenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 158212474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).