N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide

C16H12N2O3 — CID 110757271

IUPACN-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide
SMILESCc1cc(NC(=O)c2cc3ccccc3oc2=O)ccn1
InChIInChI=1S/C16H12N2O3/c1-10-8-12(6-7-17-10)18-15(19)13-9-11-4-2-3-5-14(11)21-16(13)20/h2-9H,1H3,(H,17,18,19)
InChIKeyIOQFXJIZJDAUDN-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.75
Rot. Bonds2

About N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide

N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide (PubChem CID 110757271) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide
PubChem CID110757271
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC NameN-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide
SMILESCc1cc(NC(=O)c2cc3ccccc3oc2=O)ccn1
InChIInChI=1S/C16H12N2O3/c1-10-8-12(6-7-17-10)18-15(19)13-9-11-4-2-3-5-14(11)21-16(13)20/h2-9H,1H3,(H,17,18,19)
InChIKeyIOQFXJIZJDAUDN-UHFFFAOYSA-N
XLogP2.75
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 1442136
N-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide
CID 136516823
N-(2-methyl-3H-benzimidazol-5-yl)-2-oxochromene-3-carboxamide
CID 110743882
N-(3-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 2093172
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 5346060
N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]-2-oxochromene-3-carboxamide
CID 110745871
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide
CID 110745312
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 9107286
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

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide (CID 110757271) is N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide is Cc1cc(NC(=O)c2cc3ccccc3oc2=O)ccn1.
What is the InChIKey of N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide?
The InChIKey is IOQFXJIZJDAUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-10-8-12(6-7-17-10)18-15(19)13-9-11-4-2-3-5-14(11)21-16(13)20/h2-9H,1H3,(H,17,18,19).
What are the key properties of N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide?
N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide has a molecular weight of 280.28 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 110757271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).