4-methyl-N-(2-methylphenyl)-2-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C24H28N4O4 — CID 652068

IUPAC4-methyl-N-(2-methylphenyl)-2-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)C1(C)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C24H28N4O4/c1-17-8-3-4-10-19(17)27(16-22(30)25-15-18-9-7-13-32-18)23(31)24(2)14-21(29)26-20-11-5-6-12-28(20)24/h3-6,8,10-12,18H,7,9,13-16H2,1-2H3,(H,25,30)
InChIKeyCWJPKDMBHZFZRP-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.10
Rot. Bonds6

About 4-methyl-N-(2-methylphenyl)-2-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

4-methyl-N-(2-methylphenyl)-2-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 652068) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 4-methyl-N-(2-methylphenyl)-2-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylphenyl)-2-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID652068
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name4-methyl-N-(2-methylphenyl)-2-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)C1(C)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C24H28N4O4/c1-17-8-3-4-10-19(17)27(16-22(30)25-15-18-9-7-13-32-18)23(31)24(2)14-21(29)26-20-11-5-6-12-28(20)24/h3-6,8,10-12,18H,7,9,13-16H2,1-2H3,(H,25,30)
InChIKeyCWJPKDMBHZFZRP-UHFFFAOYSA-N
XLogP2.10
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylphenyl)-2-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of 4-methyl-N-(2-methylphenyl)-2-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 652068) is 4-methyl-N-(2-methylphenyl)-2-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methylphenyl)-2-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methylphenyl)-2-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is Cc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)C1(C)CC(=O)N=C2C=CC=CN21.
What is the InChIKey of 4-methyl-N-(2-methylphenyl)-2-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is CWJPKDMBHZFZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-17-8-3-4-10-19(17)27(16-22(30)25-15-18-9-7-13-32-18)23(31)24(2)14-21(29)26-20-11-5-6-12-28(20)24/h3-6,8,10-12,18H,7,9,13-16H2,1-2H3,(H,25,30).
What are the key properties of 4-methyl-N-(2-methylphenyl)-2-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
4-methyl-N-(2-methylphenyl)-2-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylphenyl)-2-oxo-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 652068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).