N-(5-amino-6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide

C16H13N3O3 — CID 82330981

IUPACN-(5-amino-6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide
SMILESCc1nc(NC(=O)c2cc3ccccc3oc2=O)ccc1N
InChIInChI=1S/C16H13N3O3/c1-9-12(17)6-7-14(18-9)19-15(20)11-8-10-4-2-3-5-13(10)22-16(11)21/h2-8H,17H2,1H3,(H,18,19,20)
InChIKeyVUCVGUCWFYLXKF-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.33
Rot. Bonds2

About N-(5-amino-6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide

N-(5-amino-6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide (PubChem CID 82330981) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(5-amino-6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide
PubChem CID82330981
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-(5-amino-6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide
SMILESCc1nc(NC(=O)c2cc3ccccc3oc2=O)ccc1N
InChIInChI=1S/C16H13N3O3/c1-9-12(17)6-7-14(18-9)19-15(20)11-8-10-4-2-3-5-13(10)22-16(11)21/h2-8H,17H2,1H3,(H,18,19,20)
InChIKeyVUCVGUCWFYLXKF-UHFFFAOYSA-N
XLogP2.33
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.33
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

N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide
CID 110757271
N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide
CID 34584567
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-oxochromene-3-carboxamide
CID 108727609
N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide
CID 42618006
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
N-tert-butyl-2-oxochromene-3-carboxamide
CID 2798381
methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide
CID 2970214
N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-oxochromene-3-carboxamide
CID 91813609
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
N-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide
CID 136516823

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(5-amino-6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide (CID 82330981) is N-(5-amino-6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(5-amino-6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(5-amino-6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide is Cc1nc(NC(=O)c2cc3ccccc3oc2=O)ccc1N.
What is the InChIKey of N-(5-amino-6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide?
The InChIKey is VUCVGUCWFYLXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-9-12(17)6-7-14(18-9)19-15(20)11-8-10-4-2-3-5-13(10)22-16(11)21/h2-8H,17H2,1H3,(H,18,19,20).
What are the key properties of N-(5-amino-6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide?
N-(5-amino-6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 82330981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).