N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H15N3O2 — CID 24627026

IUPACN-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H15N3O2/c1-19(12-13-7-3-2-4-8-13)16(21)14-11-18-15-9-5-6-10-20(15)17(14)22/h2-11H,12H2,1H3
InChIKeyIFGMNKBQHBAAOI-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.97
Rot. Bonds3

About N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 24627026) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID24627026
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H15N3O2/c1-19(12-13-7-3-2-4-8-13)16(21)14-11-18-15-9-5-6-10-20(15)17(14)22/h2-11H,12H2,1H3
InChIKeyIFGMNKBQHBAAOI-UHFFFAOYSA-N
XLogP1.97
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 99176967
N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135686740
N-(3-hydroxybutyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115673352
N-methyl-4-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 70772816
N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 71941067
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 47019141
N-ethyl-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115771474
N-cyclopropyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 99440805
N-methyl-4-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 51121248
N-(3-aminopropyl)-N-benzyl-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 120649912
3-(4-benzylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 16620986

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 24627026) is N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CN(Cc1ccccc1)C(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is IFGMNKBQHBAAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-19(12-13-7-3-2-4-8-13)16(21)14-11-18-15-9-5-6-10-20(15)17(14)22/h2-11H,12H2,1H3.
What are the key properties of N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 24627026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).