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

C26H25FN4O3 — CID 51552838

IUPAC(4S)-N-(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)[C@]2(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)/t26-/m0/s1
InChIKeyDAEXTGAZEXBMQL-SANMLTNESA-N
MW460.51 g/mol
LogP3.26
Rot. Bonds6

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

(4S)-N-(2-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 51552838) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is (4S)-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 Name(4S)-N-(2-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID51552838
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC Name(4S)-N-(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)[C@]2(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)/t26-/m0/s1
InChIKeyDAEXTGAZEXBMQL-SANMLTNESA-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 (4S)-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 (4S)-N-(2-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 51552838) is (4S)-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 (4S)-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 (4S)-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)[C@]2(C)CC(=O)N=C3C=CC=CN32)c2ccccc2F)cc1.
What is the InChIKey of (4S)-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-SANMLTNESA-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)/t26-/m0/s1.
What are the key properties of (4S)-N-(2-fluorophenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
(4S)-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 (4S)-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 51552838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).