N-(4-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C26H25FN4O3 — CID 24792522

IUPACN-(4-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)CN(C(=O)C2(C)CC(=O)N=C3C=CC=CN32)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H25FN4O3/c1-18-6-8-19(9-7-18)16-28-24(33)17-30(21-12-10-20(27)11-13-21)25(34)26(2)15-23(32)29-22-5-3-4-14-31(22)26/h3-14H,15-17H2,1-2H3,(H,28,33)
InChIKeyMEDYZSQNYPNDDE-UHFFFAOYSA-N
MW460.51 g/mol
LogP3.26
Rot. Bonds6

About N-(4-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

N-(4-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 24792522) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID24792522
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC NameN-(4-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)CN(C(=O)C2(C)CC(=O)N=C3C=CC=CN32)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H25FN4O3/c1-18-6-8-19(9-7-18)16-28-24(33)17-30(21-12-10-20(27)11-13-21)25(34)26(2)15-23(32)29-22-5-3-4-14-31(22)26/h3-14H,15-17H2,1-2H3,(H,28,33)
InChIKeyMEDYZSQNYPNDDE-UHFFFAOYSA-N
XLogP3.26
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 101882819
CID 101882819
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-4,8-dimethyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 3224113
N-Cyclopentyl-2-(1-{4,7-dimethyl-2-oxo-3H-pyrido[1,2-A]pyrimidin-4-YL}-N-(3,5-dimethylphenyl)formamido)acetamide
CID 3224116
4-Methyl-2-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-4-carboxylic acid cyclopentylcarbamoylmethyl-o-tolyl-amide
CID 3224155
N-[2-(cyclopentylamino)-2-oxoethyl]-4,7-dimethyl-N-(2-methylphenyl)-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 3224156
7-Chloro-4-methyl-2-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-4-carboxylic acid cyclopentylcarbamoylmethyl-o-tolyl-amide
CID 3224157
N-Cyclopentyl-2-(1-{4,9-dimethyl-2-oxo-3H-pyrido[1,2-A]pyrimidin-4-YL}-N-(2-methylphenyl)formamido)acetamide
CID 3224883
1-(3,5-Dimethylphenyl)-3-{[(4-fluorophenyl)methyl]amino}-1,2-dihydropyrazin-2-one
CID 16025759
2-[N-(2-Fluorophenyl)-1-{4-methyl-2-oxo-3H-pyrido[1,2-A]pyrimidin-4-YL}formamido]-N-[(4-methylphenyl)methyl]acetamide
CID 24792400
(R)-2-Phenyl-6-(4-phenyl-piperazin-1-ylmethyl)-5,6-dihydro-3H-pyrimidin-4-one
CID 44381279
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
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US11046671, Example 10
CID 132233289

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 24792522) is N-(4-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is Cc1ccc(CNC(=O)CN(C(=O)C2(C)CC(=O)N=C3C=CC=CN32)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is MEDYZSQNYPNDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3/c1-18-6-8-19(9-7-18)16-28-24(33)17-30(21-12-10-20(27)11-13-21)25(34)26(2)15-23(32)29-22-5-3-4-14-31(22)26/h3-14H,15-17H2,1-2H3,(H,28,33).
What are the key properties of N-(4-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
N-(4-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 460.51 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 24792522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).