N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C21H21N3O3 — CID 92626081

IUPACN-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2cnc3c(C)cccn3c2=O)C2CC2)cc1
InChIInChI=1S/C21H21N3O3/c1-13-4-3-11-24-19(13)22-12-17(21(24)26)20(25)23-18(14-5-6-14)15-7-9-16(27-2)10-8-15/h3-4,7-12,14,18H,5-6H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeyFNQCCARPMIWLOR-GOSISDBHSA-N
MW363.42 g/mol
LogP2.89
Rot. Bonds5

About N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 92626081) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID92626081
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2cnc3c(C)cccn3c2=O)C2CC2)cc1
InChIInChI=1S/C21H21N3O3/c1-13-4-3-11-24-19(13)22-12-17(21(24)26)20(25)23-18(14-5-6-14)15-7-9-16(27-2)10-8-15/h3-4,7-12,14,18H,5-6H2,1-2H3,(H,23,25)/t18-/m1/s1
InChIKeyFNQCCARPMIWLOR-GOSISDBHSA-N
XLogP2.89
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-(2,2-dimethylcyclohexyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136520292
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
N-(1-aminohexan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 154762719
2-(4-chlorophenyl)-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 51688261
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 51085911
9-methyl-4-oxo-N-[2-(4-phenylphenoxy)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 46976398
9-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 92614316
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2H-triazole-4-carboxamide
CID 112733298
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136845482
N-butyl-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364466
2-methoxy-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 18891605

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 92626081) is N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COc1ccc([C@H](NC(=O)c2cnc3c(C)cccn3c2=O)C2CC2)cc1.
What is the InChIKey of N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is FNQCCARPMIWLOR-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-13-4-3-11-24-19(13)22-12-17(21(24)26)20(25)23-18(14-5-6-14)15-7-9-16(27-2)10-8-15/h3-4,7-12,14,18H,5-6H2,1-2H3,(H,23,25)/t18-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 92626081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).