4-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-oxochromene-3-carboxamide

C22H17N3O4 — CID 136512991

IUPAC4-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-oxochromene-3-carboxamide
SMILESCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3c(C)c4ccccc4oc3=O)c2)n1
InChIInChI=1S/C22H17N3O4/c1-12-10-18(26)25-20(23-12)14-6-5-7-15(11-14)24-21(27)19-13(2)16-8-3-4-9-17(16)29-22(19)28/h3-11H,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyYZHDYJLLZOFANF-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.41
Rot. Bonds3

About 4-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-oxochromene-3-carboxamide

4-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-oxochromene-3-carboxamide (PubChem CID 136512991) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is 4-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-oxochromene-3-carboxamide
PubChem CID136512991
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC Name4-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-oxochromene-3-carboxamide
SMILESCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3c(C)c4ccccc4oc3=O)c2)n1
InChIInChI=1S/C22H17N3O4/c1-12-10-18(26)25-20(23-12)14-6-5-7-15(11-14)24-21(27)19-13(2)16-8-3-4-9-17(16)29-22(19)28/h3-11H,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyYZHDYJLLZOFANF-UHFFFAOYSA-N
XLogP3.41
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide
CID 136773095
4,5-dimethyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]thiophene-2-carboxamide
CID 136731179
(2S,3S)-2-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 136804360
N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-(trifluoromethoxy)benzamide
CID 155630374
cis-(1S,3R)-2,2-dimethyl-3-[[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 136887824
N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide
CID 136734003
2-hydroxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide
CID 136741983
(1S)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 136733997
N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 166261151
1-(2-aminoethyl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]triazole-4-carboxamide
CID 166321128
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide
CID 135974780
N-(6-tert-butylpyridazin-3-yl)-4-methyl-2-oxochromene-3-carboxamide
CID 71972513

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of 4-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-oxochromene-3-carboxamide (CID 136512991) is 4-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-oxochromene-3-carboxamide is Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3c(C)c4ccccc4oc3=O)c2)n1.
What is the InChIKey of 4-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is YZHDYJLLZOFANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4/c1-12-10-18(26)25-20(23-12)14-6-5-7-15(11-14)24-21(27)19-13(2)16-8-3-4-9-17(16)29-22(19)28/h3-11H,1-2H3,(H,24,27)(H,23,25,26).
What are the key properties of 4-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-oxochromene-3-carboxamide?
4-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 136512991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).