N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide

C16H12N2O3 — CID 18170333

IUPACN-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3ccncc3)ccc12
InChIInChI=1S/C16H12N2O3/c1-10-8-15(19)21-14-9-12(2-3-13(10)14)18-16(20)11-4-6-17-7-5-11/h2-9H,1H3,(H,18,20)
InChIKeyXSUNPWXHKAVMNL-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.75
Rot. Bonds2

About N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide

N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide (PubChem CID 18170333) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide
PubChem CID18170333
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3ccncc3)ccc12
InChIInChI=1S/C16H12N2O3/c1-10-8-15(19)21-14-9-12(2-3-13(10)14)18-16(20)11-4-6-17-7-5-11/h2-9H,1H3,(H,18,20)
InChIKeyXSUNPWXHKAVMNL-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

4-[(4-methyl-2-oxochromen-7-yl)carbamoyl]benzoic acid
CID 134155841
4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 2675719
1-(4-methyl-2-oxochromen-7-yl)-3-pyridin-4-ylthiourea
CID 19655624
N-(4-methyl-2-oxochromen-7-yl)furan-2-carboxamide
CID 8840067
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
N-(4-methyl-2-oxochromen-7-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17022321
6-(ethylcarbamoylamino)-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide
CID 122197325
N-(4-methyl-2-oxochromen-7-yl)-1H-indole-2-carboxamide
CID 134153428
N-(4-ethylphenyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide
CID 154700876
1-tert-butyl-3-(4-methyl-2-oxochromen-7-yl)urea
CID 110749119
N-(4-methyl-2-oxochromen-7-yl)cyclopropanecarboxamide
CID 26878502
N-(4-methyl-2-oxochromen-7-yl)-3H-benzimidazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 134150768

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide (CID 18170333) is N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide is Cc1cc(=O)oc2cc(NC(=O)c3ccncc3)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide?
The InChIKey is XSUNPWXHKAVMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-10-8-15(19)21-14-9-12(2-3-13(10)14)18-16(20)11-4-6-17-7-5-11/h2-9H,1H3,(H,18,20).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide?
N-(4-methyl-2-oxochromen-7-yl)pyridine-4-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-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide is sourced from PubChem (CID 18170333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).