7-bromo-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C14H16BrN3O2 — CID 75416997

IUPAC7-bromo-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1cnc2ccc(Br)cn2c1=O
InChIInChI=1S/C14H16BrN3O2/c1-4-14(2,3)17-12(19)10-7-16-11-6-5-9(15)8-18(11)13(10)20/h5-8H,4H2,1-3H3,(H,17,19)
InChIKeyWPZLDSIUINOLGA-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.38
Rot. Bonds3

About 7-bromo-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

7-bromo-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 75416997) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 7-bromo-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID75416997
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name7-bromo-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1cnc2ccc(Br)cn2c1=O
InChIInChI=1S/C14H16BrN3O2/c1-4-14(2,3)17-12(19)10-7-16-11-6-5-9(15)8-18(11)13(10)20/h5-8H,4H2,1-3H3,(H,17,19)
InChIKeyWPZLDSIUINOLGA-UHFFFAOYSA-N
XLogP2.38
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878735
N-(1-amino-2,3-dimethylbutan-2-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 119605629
7-bromo-3-(3-hydroxyazetidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 86779478
7-methyl-N-[2-(methylamino)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119500073
7-bromo-3-chloropyrido[1,2-a]pyrimidin-4-one
CID 84709899
7-methyl-4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878724
N-[(6-bromoimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylpropan-2-amine
CID 115651962
2-bromo-N-(2-methylbutan-2-yl)benzamide
CID 24700588
7-bromo-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 83903186
4-bromo-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 78987462
N-(4-fluorophenyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878732
ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 3932782

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-bromo-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 75416997) is 7-bromo-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-bromo-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-bromo-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCC(C)(C)NC(=O)c1cnc2ccc(Br)cn2c1=O.
What is the InChIKey of 7-bromo-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is WPZLDSIUINOLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-4-14(2,3)17-12(19)10-7-16-11-6-5-9(15)8-18(11)13(10)20/h5-8H,4H2,1-3H3,(H,17,19).
What are the key properties of 7-bromo-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
7-bromo-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 338.21 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(2-methylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 75416997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).