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

C26H25FN4O3 — CID 24792400

IUPACN-(2-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)c2ccccc2F)cc1
InChIInChI=1S/C26H25FN4O3/c1-18-10-12-19(13-11-18)16-28-24(33)17-30(21-8-4-3-7-20(21)27)25(34)26(2)15-23(32)29-22-9-5-6-14-31(22)26/h3-14H,15-17H2,1-2H3,(H,28,33)
InChIKeyDAEXTGAZEXBMQL-UHFFFAOYSA-N
MW460.51 g/mol
LogP3.26
Rot. Bonds6

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

N-(2-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 24792400) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID24792400
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC NameN-(2-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)c2ccccc2F)cc1
InChIInChI=1S/C26H25FN4O3/c1-18-10-12-19(13-11-18)16-28-24(33)17-30(21-8-4-3-7-20(21)27)25(34)26(2)15-23(32)29-22-9-5-6-14-31(22)26/h3-14H,15-17H2,1-2H3,(H,28,33)
InChIKeyDAEXTGAZEXBMQL-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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Frequently Asked Questions

What is the IUPAC name of N-(2-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-(2-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 24792400) is N-(2-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-(2-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-(2-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)c2ccccc2F)cc1.
What is the InChIKey of N-(2-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is DAEXTGAZEXBMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3/c1-18-10-12-19(13-11-18)16-28-24(33)17-30(21-8-4-3-7-20(21)27)25(34)26(2)15-23(32)29-22-9-5-6-14-31(22)26/h3-14H,15-17H2,1-2H3,(H,28,33).
What are the key properties of N-(2-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
N-(2-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-(2-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 24792400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).