N-[(E)-(6-hydroxy-4-methyl-2-oxochromen-5-yl)methylideneamino]pyridine-4-carboxamide

C17H13N3O4 — CID 136650800

IUPACN-[(E)-(6-hydroxy-4-methyl-2-oxochromen-5-yl)methylideneamino]pyridine-4-carboxamide
SMILESCc1cc(=O)oc2ccc(O)c(/C=N/NC(=O)c3ccncc3)c12
InChIInChI=1S/C17H13N3O4/c1-10-8-15(22)24-14-3-2-13(21)12(16(10)14)9-19-20-17(23)11-4-6-18-7-5-11/h2-9,21H,1H3,(H,20,23)/b19-9+
InChIKeyKRKKSLPHAUEUMY-DJKKODMXSA-N
MW323.31 g/mol
LogP1.97
Rot. Bonds3

About N-[(E)-(6-hydroxy-4-methyl-2-oxochromen-5-yl)methylideneamino]pyridine-4-carboxamide

N-[(E)-(6-hydroxy-4-methyl-2-oxochromen-5-yl)methylideneamino]pyridine-4-carboxamide (PubChem CID 136650800) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-[(E)-(6-hydroxy-4-methyl-2-oxochromen-5-yl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(6-hydroxy-4-methyl-2-oxochromen-5-yl)methylideneamino]pyridine-4-carboxamide
PubChem CID136650800
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC NameN-[(E)-(6-hydroxy-4-methyl-2-oxochromen-5-yl)methylideneamino]pyridine-4-carboxamide
SMILESCc1cc(=O)oc2ccc(O)c(/C=N/NC(=O)c3ccncc3)c12
InChIInChI=1S/C17H13N3O4/c1-10-8-15(22)24-14-3-2-13(21)12(16(10)14)9-19-20-17(23)11-4-6-18-7-5-11/h2-9,21H,1H3,(H,20,23)/b19-9+
InChIKeyKRKKSLPHAUEUMY-DJKKODMXSA-N
XLogP1.97
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide
CID 18170333
N-[(E)-[2-hydroxy-6-(hydroxymethyl)-3-methylphenyl]methylideneamino]pyridine-4-carboxamide
CID 138395659
N-[(2-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690992
N-[(E)-(5-aminofuran-2-yl)methylideneamino]pyridine-4-carboxamide
CID 170219541
N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 25251435
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 135643394
N-[(Z)-[4-hydroxy-1,3-bis(2-methylphenyl)-6-oxo-2-sulfanylidenepyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide
CID 135959337
N-[(E)-(4-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 135478100
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 139085490
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]pyridine-4-carboxamide
CID 8825879

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(6-hydroxy-4-methyl-2-oxochromen-5-yl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(6-hydroxy-4-methyl-2-oxochromen-5-yl)methylideneamino]pyridine-4-carboxamide (CID 136650800) is N-[(E)-(6-hydroxy-4-methyl-2-oxochromen-5-yl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(6-hydroxy-4-methyl-2-oxochromen-5-yl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(6-hydroxy-4-methyl-2-oxochromen-5-yl)methylideneamino]pyridine-4-carboxamide is Cc1cc(=O)oc2ccc(O)c(/C=N/NC(=O)c3ccncc3)c12.
What is the InChIKey of N-[(E)-(6-hydroxy-4-methyl-2-oxochromen-5-yl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is KRKKSLPHAUEUMY-DJKKODMXSA-N. The full InChI is InChI=1S/C17H13N3O4/c1-10-8-15(22)24-14-3-2-13(21)12(16(10)14)9-19-20-17(23)11-4-6-18-7-5-11/h2-9,21H,1H3,(H,20,23)/b19-9+.
What are the key properties of N-[(E)-(6-hydroxy-4-methyl-2-oxochromen-5-yl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(6-hydroxy-4-methyl-2-oxochromen-5-yl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 323.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(6-hydroxy-4-methyl-2-oxochromen-5-yl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 136650800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).