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

C16H14BrN3O2 — CID 7344180

IUPAC(4R)-N-(3-bromophenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESC[C@]1(C(=O)Nc2cccc(Br)c2)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C16H14BrN3O2/c1-16(15(22)18-12-6-4-5-11(17)9-12)10-14(21)19-13-7-2-3-8-20(13)16/h2-9H,10H2,1H3,(H,18,22)/t16-/m1/s1
InChIKeyZAVZBLYWXQXMQJ-MRXNPFEDSA-N
MW360.21 g/mol
LogP2.86
Rot. Bonds2

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

(4R)-N-(3-bromophenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 7344180) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is (4R)-N-(3-bromophenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(3-bromophenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID7344180
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Name(4R)-N-(3-bromophenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESC[C@]1(C(=O)Nc2cccc(Br)c2)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C16H14BrN3O2/c1-16(15(22)18-12-6-4-5-11(17)9-12)10-14(21)19-13-7-2-3-8-20(13)16/h2-9H,10H2,1H3,(H,18,22)/t16-/m1/s1
InChIKeyZAVZBLYWXQXMQJ-MRXNPFEDSA-N
XLogP2.86
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108800983
4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108810284
N-(4-cyano-1-phenylpyrazol-5-yl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108800939
4-methyl-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108787993
2-[1-[(3-bromophenyl)carbamoyl]cyclopropyl]acetic acid
CID 83559333
trans-(1S,3R)-3-[(3-bromophenyl)carbamoyl]-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 51921818
N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837156
1-N-(3-bromophenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980810
N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132260
N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide
CID 55164937
1-[2-(3-bromoanilino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63124915
1-[(3-bromophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136091

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(3-bromophenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of (4R)-N-(3-bromophenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 7344180) is (4R)-N-(3-bromophenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for (4R)-N-(3-bromophenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for (4R)-N-(3-bromophenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is C[C@]1(C(=O)Nc2cccc(Br)c2)CC(=O)N=C2C=CC=CN21.
What is the InChIKey of (4R)-N-(3-bromophenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is ZAVZBLYWXQXMQJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-16(15(22)18-12-6-4-5-11(17)9-12)10-14(21)19-13-7-2-3-8-20(13)16/h2-9H,10H2,1H3,(H,18,22)/t16-/m1/s1.
What are the key properties of (4R)-N-(3-bromophenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
(4R)-N-(3-bromophenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 360.21 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(3-bromophenyl)-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 7344180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).