N-[2-(2-methylphenyl)-4-oxochromen-6-yl]pyridine-2-carboxamide

C22H16N2O3 — CID 16825912

IUPACN-[2-(2-methylphenyl)-4-oxochromen-6-yl]pyridine-2-carboxamide
SMILESCc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccccn3)ccc2o1
InChIInChI=1S/C22H16N2O3/c1-14-6-2-3-7-16(14)21-13-19(25)17-12-15(9-10-20(17)27-21)24-22(26)18-8-4-5-11-23-18/h2-13H,1H3,(H,24,26)
InChIKeyJCYUULIJJZXFAG-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.42
Rot. Bonds3

About N-[2-(2-methylphenyl)-4-oxochromen-6-yl]pyridine-2-carboxamide

N-[2-(2-methylphenyl)-4-oxochromen-6-yl]pyridine-2-carboxamide (PubChem CID 16825912) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)-4-oxochromen-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)-4-oxochromen-6-yl]pyridine-2-carboxamide
PubChem CID16825912
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC NameN-[2-(2-methylphenyl)-4-oxochromen-6-yl]pyridine-2-carboxamide
SMILESCc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccccn3)ccc2o1
InChIInChI=1S/C22H16N2O3/c1-14-6-2-3-7-16(14)21-13-19(25)17-12-15(9-10-20(17)27-21)24-22(26)18-8-4-5-11-23-18/h2-13H,1H3,(H,24,26)
InChIKeyJCYUULIJJZXFAG-UHFFFAOYSA-N
XLogP4.42
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568714
N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]-2-methylbenzamide
CID 18568712
N-[2-(2-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide
CID 18568687
N-(4-oxochromen-6-yl)pyridine-2-carboxamide
CID 71946793
N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]-2-methylbenzamide
CID 18568738
2-chloro-N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]benzamide
CID 18568768
4-chloro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzenesulfonamide
CID 18568820
3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 16801698
2-(2-methylphenyl)chromen-4-one
CID 776385
N-(3-amino-4-methylphenyl)pyridine-2-carboxamide
CID 24707912
N-[2-(2-chlorophenyl)-4-oxochromen-6-yl]-2-methoxyacetamide
CID 42571450
N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568672

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)-4-oxochromen-6-yl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(2-methylphenyl)-4-oxochromen-6-yl]pyridine-2-carboxamide (CID 16825912) is N-[2-(2-methylphenyl)-4-oxochromen-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2-methylphenyl)-4-oxochromen-6-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(2-methylphenyl)-4-oxochromen-6-yl]pyridine-2-carboxamide is Cc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccccn3)ccc2o1.
What is the InChIKey of N-[2-(2-methylphenyl)-4-oxochromen-6-yl]pyridine-2-carboxamide?
The InChIKey is JCYUULIJJZXFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c1-14-6-2-3-7-16(14)21-13-19(25)17-12-15(9-10-20(17)27-21)24-22(26)18-8-4-5-11-23-18/h2-13H,1H3,(H,24,26).
What are the key properties of N-[2-(2-methylphenyl)-4-oxochromen-6-yl]pyridine-2-carboxamide?
N-[2-(2-methylphenyl)-4-oxochromen-6-yl]pyridine-2-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)-4-oxochromen-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 16825912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).