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

C16H16N4O2 — CID 108800845

IUPAC4-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1(C(=O)NCc2ccncc2)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C16H16N4O2/c1-16(15(22)18-11-12-5-7-17-8-6-12)10-14(21)19-13-4-2-3-9-20(13)16/h2-9H,10-11H2,1H3,(H,18,22)
InChIKeyDTZGRAGYRYMWFC-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.17
Rot. Bonds3

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

4-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 108800845) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID108800845
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name4-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1(C(=O)NCc2ccncc2)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C16H16N4O2/c1-16(15(22)18-11-12-5-7-17-8-6-12)10-14(21)19-13-4-2-3-9-20(13)16/h2-9H,10-11H2,1H3,(H,18,22)
InChIKeyDTZGRAGYRYMWFC-UHFFFAOYSA-N
XLogP1.17
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108787968
N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108788030
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108788123
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
N-(3,5-dichloro-4-hydroxyphenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108801061
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
1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 91273952
N-(4-cyano-1-phenylpyrazol-5-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108800939
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108800962

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of 4-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 108800845) is 4-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CC1(C(=O)NCc2ccncc2)CC(=O)N=C2C=CC=CN21.
What is the InChIKey of 4-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is DTZGRAGYRYMWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-16(15(22)18-11-12-5-7-17-8-6-12)10-14(21)19-13-4-2-3-9-20(13)16/h2-9H,10-11H2,1H3,(H,18,22).
What are the key properties of 4-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
4-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 108800845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).