N-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H14BrN3O2 — CID 99176967

IUPACN-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H14BrN3O2/c1-20(11-12-5-7-13(18)8-6-12)16(22)14-10-19-15-4-2-3-9-21(15)17(14)23/h2-10H,11H2,1H3
InChIKeyOTMCYWDWGLYFHY-UHFFFAOYSA-N
MW372.22 g/mol
LogP2.73
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 99176967) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID99176967
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C17H14BrN3O2/c1-20(11-12-5-7-13(18)8-6-12)16(22)14-10-19-15-4-2-3-9-21(15)17(14)23/h2-10H,11H2,1H3
InChIKeyOTMCYWDWGLYFHY-UHFFFAOYSA-N
XLogP2.73
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24627026
N-(3-hydroxybutyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115673352
N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135686740
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
N-cyclopropyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 99440805
N-ethyl-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115771474
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
N-[(5-bromo-2-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 46472876
N-(2-amino-2-oxoethyl)-N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 56795807
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94018219
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94018218

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 99176967) is N-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CN(Cc1ccc(Br)cc1)C(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is OTMCYWDWGLYFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c1-20(11-12-5-7-13(18)8-6-12)16(22)14-10-19-15-4-2-3-9-21(15)17(14)23/h2-10H,11H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 372.22 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 99176967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).