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

C16H12N2O3 — CID 691567

IUPACN-(3-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide
SMILESCc1cccnc1NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H12N2O3/c1-10-5-4-8-17-14(10)18-15(19)12-9-11-6-2-3-7-13(11)21-16(12)20/h2-9H,1H3,(H,17,18,19)
InChIKeyFFHAWTDFEPKOFQ-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.75
Rot. Bonds2

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

N-(3-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide (PubChem CID 691567) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide
PubChem CID691567
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC NameN-(3-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide
SMILESCc1cccnc1NC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H12N2O3/c1-10-5-4-8-17-14(10)18-15(19)12-9-11-6-2-3-7-13(11)21-16(12)20/h2-9H,1H3,(H,17,18,19)
InChIKeyFFHAWTDFEPKOFQ-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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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide (CID 691567) is N-(3-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide is Cc1cccnc1NC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide?
The InChIKey is FFHAWTDFEPKOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-10-5-4-8-17-14(10)18-15(19)12-9-11-6-2-3-7-13(11)21-16(12)20/h2-9H,1H3,(H,17,18,19).
What are the key properties of N-(3-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide?
N-(3-methyl-2-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-(3-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 691567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).