3-methyl-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-phenylchromene-8-carboxamide

C29H22N2O4 — CID 55767692

IUPAC3-methyl-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-phenylchromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc(Cn4ccccc4=O)cc3)cccc2c1=O
InChIInChI=1S/C29H22N2O4/c1-19-26(33)23-10-7-11-24(28(23)35-27(19)21-8-3-2-4-9-21)29(34)30-22-15-13-20(14-16-22)18-31-17-6-5-12-25(31)32/h2-17H,18H2,1H3,(H,30,34)
InChIKeyYJOGJOJYISJHFF-UHFFFAOYSA-N
MW462.51 g/mol
LogP5.23
Rot. Bonds5

About 3-methyl-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-phenylchromene-8-carboxamide

3-methyl-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-phenylchromene-8-carboxamide (PubChem CID 55767692) has the molecular formula C29H22N2O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-phenylchromene-8-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-phenylchromene-8-carboxamide
PubChem CID55767692
Molecular FormulaC29H22N2O4
Molecular Weight462.51 g/mol
Exact Mass462.16
IUPAC Name3-methyl-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-phenylchromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc(Cn4ccccc4=O)cc3)cccc2c1=O
InChIInChI=1S/C29H22N2O4/c1-19-26(33)23-10-7-11-24(28(23)35-27(19)21-8-3-2-4-9-21)29(34)30-22-15-13-20(14-16-22)18-31-17-6-5-12-25(31)32/h2-17H,18H2,1H3,(H,30,34)
InChIKeyYJOGJOJYISJHFF-UHFFFAOYSA-N
XLogP5.23
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.51
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-carbamoylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8884598
3-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-2-phenylchromene-8-carboxamide
CID 2456791
2-iodo-3-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]benzamide
CID 55881732
N-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 46553863
3-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide
CID 78890315
N-[2-(4-bromoanilino)-2-oxoethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 55878876
3-methyl-4-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)chromene-8-carboxamide
CID 125433000
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8701875
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 42125425
N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8779941
3-methyl-4-oxo-2-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]chromene-8-carboxamide
CID 30134890
3-methyl-N-[4-methyl-2-(methylcarbamoyl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide
CID 167935390

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-phenylchromene-8-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-phenylchromene-8-carboxamide (CID 55767692) is 3-methyl-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-phenylchromene-8-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-phenylchromene-8-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-phenylchromene-8-carboxamide is Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc(Cn4ccccc4=O)cc3)cccc2c1=O.
What is the InChIKey of 3-methyl-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-phenylchromene-8-carboxamide?
The InChIKey is YJOGJOJYISJHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O4/c1-19-26(33)23-10-7-11-24(28(23)35-27(19)21-8-3-2-4-9-21)29(34)30-22-15-13-20(14-16-22)18-31-17-6-5-12-25(31)32/h2-17H,18H2,1H3,(H,30,34).
What are the key properties of 3-methyl-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-phenylchromene-8-carboxamide?
3-methyl-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-phenylchromene-8-carboxamide has a molecular weight of 462.51 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-phenylchromene-8-carboxamide is sourced from PubChem (CID 55767692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).