N-(2,5-dimethylphenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C28H30N4O3 — CID 3227599

IUPACN-(2,5-dimethylphenyl)-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)c2cc(C)ccc2C)cc1
InChIInChI=1S/C28H30N4O3/c1-19-9-12-22(13-10-19)17-29-26(34)18-31(23-15-20(2)8-11-21(23)3)27(35)28(4)16-25(33)30-24-7-5-6-14-32(24)28/h5-15H,16-18H2,1-4H3,(H,29,34)
InChIKeyCNQAOOXZAWIGKJ-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.73
Rot. Bonds6

About N-(2,5-dimethylphenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

N-(2,5-dimethylphenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 3227599) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID3227599
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC NameN-(2,5-dimethylphenyl)-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)c2cc(C)ccc2C)cc1
InChIInChI=1S/C28H30N4O3/c1-19-9-12-22(13-10-19)17-29-26(34)18-31(23-15-20(2)8-11-21(23)3)27(35)28(4)16-25(33)30-24-7-5-6-14-32(24)28/h5-15H,16-18H2,1-4H3,(H,29,34)
InChIKeyCNQAOOXZAWIGKJ-UHFFFAOYSA-N
XLogP3.73
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 3227599) is N-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-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)c2cc(C)ccc2C)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is CNQAOOXZAWIGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-19-9-12-22(13-10-19)17-29-26(34)18-31(23-15-20(2)8-11-21(23)3)27(35)28(4)16-25(33)30-24-7-5-6-14-32(24)28/h5-15H,16-18H2,1-4H3,(H,29,34).
What are the key properties of N-(2,5-dimethylphenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
N-(2,5-dimethylphenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-methyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 3227599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).