1-(2-amino-2-oxoethyl)-5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]imidazole-4-carboxamide

C23H19N7O4 — CID 136635199

IUPAC1-(2-amino-2-oxoethyl)-5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]imidazole-4-carboxamide
SMILESNC(=O)Cn1cnc(C(N)=O)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12
InChIInChI=1S/C23H19N7O4/c24-17(31)11-30-12-26-19(21(25)33)22(30)29-28-18-15-9-5-4-6-13(15)10-16(20(18)32)23(34)27-14-7-2-1-3-8-14/h1-10,12,32H,11H2,(H2,24,31)(H2,25,33)(H,27,34)/b29-28+
InChIKeyOIYBYWJYHFNAAC-ZQHSETAFSA-N
MW457.45 g/mol
LogP2.99
Rot. Bonds7

About 1-(2-amino-2-oxoethyl)-5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]imidazole-4-carboxamide

1-(2-amino-2-oxoethyl)-5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]imidazole-4-carboxamide (PubChem CID 136635199) has the molecular formula C23H19N7O4 and a molecular weight of 457.45 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]imidazole-4-carboxamide
PubChem CID136635199
Molecular FormulaC23H19N7O4
Molecular Weight457.45 g/mol
Exact Mass457.15
IUPAC Name1-(2-amino-2-oxoethyl)-5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]imidazole-4-carboxamide
SMILESNC(=O)Cn1cnc(C(N)=O)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12
InChIInChI=1S/C23H19N7O4/c24-17(31)11-30-12-26-19(21(25)33)22(30)29-28-18-15-9-5-4-6-13(15)10-16(20(18)32)23(34)27-14-7-2-1-3-8-14/h1-10,12,32H,11H2,(H2,24,31)(H2,25,33)(H,27,34)/b29-28+
InChIKeyOIYBYWJYHFNAAC-ZQHSETAFSA-N
XLogP2.99
TPSA178.05 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-carbamoyl-1-methylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N,7-N-diphenylnaphthalene-2,7-dicarboxamide
CID 136642041
bis(4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide);iron;methane
CID 161221882
N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 155007361
4-[[4-[(4-aminophenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-N-hydroxybenzeneamine oxide
CID 136599111
4-[(4-butyl-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 135991568
N-[4-[[4-[(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-4-[2-(4-cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxynaphthalene-2-carboxamide
CID 136994641
2-cyano-5-[[2-hydroxy-3-[[4-(hydroxymethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1H-pyrrole-3-carboxamide
CID 136598391
4-[(4-carbamoylphenyl)diazenyl]-N-(2-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 17740
4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 177440661
methyl 3-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 136635211
4-[[7-[[3-[(3-formylphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 135731638
N-[2,5-diethyl-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 177438647

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]imidazole-4-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]imidazole-4-carboxamide (CID 136635199) is 1-(2-amino-2-oxoethyl)-5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]imidazole-4-carboxamide is NC(=O)Cn1cnc(C(N)=O)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]imidazole-4-carboxamide?
The InChIKey is OIYBYWJYHFNAAC-ZQHSETAFSA-N. The full InChI is InChI=1S/C23H19N7O4/c24-17(31)11-30-12-26-19(21(25)33)22(30)29-28-18-15-9-5-4-6-13(15)10-16(20(18)32)23(34)27-14-7-2-1-3-8-14/h1-10,12,32H,11H2,(H2,24,31)(H2,25,33)(H,27,34)/b29-28+.
What are the key properties of 1-(2-amino-2-oxoethyl)-5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]imidazole-4-carboxamide?
1-(2-amino-2-oxoethyl)-5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]imidazole-4-carboxamide has a molecular weight of 457.45 g/mol, XLogP of 2.99, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]imidazole-4-carboxamide is sourced from PubChem (CID 136635199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).