N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide

C22H15N3O4 — CID 1442136

IUPACN-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1)c1ccccn1
InChIInChI=1S/C22H15N3O4/c26-20(17-13-14-5-1-2-7-19(14)29-22(17)28)24-15-8-10-16(11-9-15)25-21(27)18-6-3-4-12-23-18/h1-13H,(H,24,26)(H,25,27)
InChIKeyLLVIFGCDPGWVQO-UHFFFAOYSA-N
MW385.38 g/mol
LogP3.69
Rot. Bonds4

About N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide

N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide (PubChem CID 1442136) has the molecular formula C22H15N3O4 and a molecular weight of 385.38 g/mol. Its IUPAC name is N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
PubChem CID1442136
Molecular FormulaC22H15N3O4
Molecular Weight385.38 g/mol
Exact Mass385.11
IUPAC NameN-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1)c1ccccn1
InChIInChI=1S/C22H15N3O4/c26-20(17-13-14-5-1-2-7-19(14)29-22(17)28)24-15-8-10-16(11-9-15)25-21(27)18-6-3-4-12-23-18/h1-13H,(H,24,26)(H,25,27)
InChIKeyLLVIFGCDPGWVQO-UHFFFAOYSA-N
XLogP3.69
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide
CID 110757271
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23658676
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 110493370
N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 5346060
N-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide
CID 136516823
2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide
CID 51157990
N-[4-(benzylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 1253528

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide (CID 1442136) is N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1)c1ccccn1.
What is the InChIKey of N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide?
The InChIKey is LLVIFGCDPGWVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O4/c26-20(17-13-14-5-1-2-7-19(14)29-22(17)28)24-15-8-10-16(11-9-15)25-21(27)18-6-3-4-12-23-18/h1-13H,(H,24,26)(H,25,27).
What are the key properties of N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide?
N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide has a molecular weight of 385.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 1442136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).