N-[(4-chlorophenyl)methyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C17H16ClN3O2 — CID 108787968

IUPACN-[(4-chlorophenyl)methyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1(C(=O)NCc2ccc(Cl)cc2)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C17H16ClN3O2/c1-17(10-15(22)20-14-4-2-3-9-21(14)17)16(23)19-11-12-5-7-13(18)8-6-12/h2-9H,10-11H2,1H3,(H,19,23)
InChIKeyHFFVNSIWEUJVEX-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.43
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 108787968) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID108787968
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC NameN-[(4-chlorophenyl)methyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1(C(=O)NCc2ccc(Cl)cc2)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C17H16ClN3O2/c1-17(10-15(22)20-14-4-2-3-9-21(14)17)16(23)19-11-12-5-7-13(18)8-6-12/h2-9H,10-11H2,1H3,(H,19,23)
InChIKeyHFFVNSIWEUJVEX-UHFFFAOYSA-N
XLogP2.43
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108800845
N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108788030
N-(3,5-dichloro-4-hydroxyphenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108801061
4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoic acid
CID 108800870
(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
4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108787936
ethyl 3-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate
CID 108800911
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108801048
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108800962
4-methyl-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108800928
(4S)-4,8-dimethyl-2-oxo-N-[2-(pyridine-2-carbonylamino)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 51499025
N-[(4-chlorophenyl)methyl]-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 4861594

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 108787968) is N-[(4-chlorophenyl)methyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CC1(C(=O)NCc2ccc(Cl)cc2)CC(=O)N=C2C=CC=CN21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is HFFVNSIWEUJVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-17(10-15(22)20-14-4-2-3-9-21(14)17)16(23)19-11-12-5-7-13(18)8-6-12/h2-9H,10-11H2,1H3,(H,19,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 108787968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).