4-[(4-cyano-5-methyl-2-pyridin-2-ylpyrazolidin-3-ylidene)amino]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide

C28H24N6O2 — CID 123392505

IUPAC4-[(4-cyano-5-methyl-2-pyridin-2-ylpyrazolidin-3-ylidene)amino]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc3ccccc3c(/N=C3\C(C#N)C(C)NN3c3ccccn3)c2O)c1
InChIInChI=1S/C28H24N6O2/c1-17-8-7-10-20(14-17)31-28(36)22-15-19-9-3-4-11-21(19)25(26(22)35)32-27-23(16-29)18(2)33-34(27)24-12-5-6-13-30-24/h3-15,18,23,33,35H,1-2H3,(H,31,36)/b32-27+
InChIKeyBIQUJMFYHXKUDS-QVAGMWBUSA-N
MW476.54 g/mol
LogP5.08
Rot. Bonds4

About 4-[(4-cyano-5-methyl-2-pyridin-2-ylpyrazolidin-3-ylidene)amino]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide

4-[(4-cyano-5-methyl-2-pyridin-2-ylpyrazolidin-3-ylidene)amino]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide (PubChem CID 123392505) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is 4-[(4-cyano-5-methyl-2-pyridin-2-ylpyrazolidin-3-ylidene)amino]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-cyano-5-methyl-2-pyridin-2-ylpyrazolidin-3-ylidene)amino]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide
PubChem CID123392505
Molecular FormulaC28H24N6O2
Molecular Weight476.54 g/mol
Exact Mass476.20
IUPAC Name4-[(4-cyano-5-methyl-2-pyridin-2-ylpyrazolidin-3-ylidene)amino]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc3ccccc3c(/N=C3\C(C#N)C(C)NN3c3ccccn3)c2O)c1
InChIInChI=1S/C28H24N6O2/c1-17-8-7-10-20(14-17)31-28(36)22-15-19-9-3-4-11-21(19)25(26(22)35)32-27-23(16-29)18(2)33-34(27)24-12-5-6-13-30-24/h3-15,18,23,33,35H,1-2H3,(H,31,36)/b32-27+
InChIKeyBIQUJMFYHXKUDS-QVAGMWBUSA-N
XLogP5.08
TPSA113.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-4-[[7-[[2-hydroxy-3-[(3-methylphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide
CID 135731626
4-amino-3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide;5-amino-1-pyridin-2-ylpyrazole-4-carbonitrile;ethane
CID 143927342
4-[(4-cyano-1H-pyrazol-5-yl)diazenyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide;4-[(4-cyano-1H-pyrazol-5-yl)diazenyl]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide;4-[(4-cyano-1H-pyrazol-5-yl)diazenyl]-3-hydroxynaphthalene-2-carboxamide;4-[(4-cyano-1H-pyrazol-5-yl)diazenyl]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
CID 160654883
N-(3-methylphenyl)quinoline-8-carboxamide
CID 30267656
2-hydroxy-N-(3-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
CID 14008608
5-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944175
N-(3-methylphenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide
CID 46360419
4-[(4-cyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-hydroxy-2-N-phenyl-7-N-propylnaphthalene-2,7-dicarboxamide
CID 163859214
2-hydroxy-N-(3-methylphenyl)naphthalene-1-carboxamide
CID 86575396
N-(3-methylphenyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide
CID 2223034
2-cyano-5-[[2-hydroxy-3-[[4-(hydroxymethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1H-pyrrole-3-carboxamide
CID 136598391
N-(3-methylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286617

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyano-5-methyl-2-pyridin-2-ylpyrazolidin-3-ylidene)amino]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide?
The IUPAC name of 4-[(4-cyano-5-methyl-2-pyridin-2-ylpyrazolidin-3-ylidene)amino]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide (CID 123392505) is 4-[(4-cyano-5-methyl-2-pyridin-2-ylpyrazolidin-3-ylidene)amino]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 4-[(4-cyano-5-methyl-2-pyridin-2-ylpyrazolidin-3-ylidene)amino]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 4-[(4-cyano-5-methyl-2-pyridin-2-ylpyrazolidin-3-ylidene)amino]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide is Cc1cccc(NC(=O)c2cc3ccccc3c(/N=C3\C(C#N)C(C)NN3c3ccccn3)c2O)c1.
What is the InChIKey of 4-[(4-cyano-5-methyl-2-pyridin-2-ylpyrazolidin-3-ylidene)amino]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide?
The InChIKey is BIQUJMFYHXKUDS-QVAGMWBUSA-N. The full InChI is InChI=1S/C28H24N6O2/c1-17-8-7-10-20(14-17)31-28(36)22-15-19-9-3-4-11-21(19)25(26(22)35)32-27-23(16-29)18(2)33-34(27)24-12-5-6-13-30-24/h3-15,18,23,33,35H,1-2H3,(H,31,36)/b32-27+.
What are the key properties of 4-[(4-cyano-5-methyl-2-pyridin-2-ylpyrazolidin-3-ylidene)amino]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide?
4-[(4-cyano-5-methyl-2-pyridin-2-ylpyrazolidin-3-ylidene)amino]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide has a molecular weight of 476.54 g/mol, XLogP of 5.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyano-5-methyl-2-pyridin-2-ylpyrazolidin-3-ylidene)amino]-3-hydroxy-N-(3-methylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 123392505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).