N-(2-amino-2-oxoethyl)-N-butyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H20N4O3 — CID 56795810

IUPACN-(2-amino-2-oxoethyl)-N-butyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)c1cnc2ccc(C)cn2c1=O
InChIInChI=1S/C16H20N4O3/c1-3-4-7-19(10-13(17)21)15(22)12-8-18-14-6-5-11(2)9-20(14)16(12)23/h5-6,8-9H,3-4,7,10H2,1-2H3,(H2,17,21)
InChIKeyDQNZUWACLCPUFR-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.73
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-butyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(2-amino-2-oxoethyl)-N-butyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 56795810) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-butyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-butyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID56795810
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-(2-amino-2-oxoethyl)-N-butyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)c1cnc2ccc(C)cn2c1=O
InChIInChI=1S/C16H20N4O3/c1-3-4-7-19(10-13(17)21)15(22)12-8-18-14-6-5-11(2)9-20(14)16(12)23/h5-6,8-9H,3-4,7,10H2,1-2H3,(H2,17,21)
InChIKeyDQNZUWACLCPUFR-UHFFFAOYSA-N
XLogP0.73
TPSA97.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-amino-2-oxoethyl)-N-butyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 7-methyl-4-oxo-N-propyl-
CID 3079291
1-Butyl-2-imino-5-oxo-1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidine-3-ca rboxamide
CID 2927480
2-imino-8-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 3151359
N-(Butan-2-YL)-7-methyl-4-oxo-4H-pyrido[1,2-A]pyrimidine-3-carboxamide
CID 20878713
N-(tert-butyl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878714
2-Hydroxy-8-methyl-4-oxo-4h-pyrido-[1,2-a]pyrimidine-3-carboxylic acid diethylaminoethylamide
CID 135681019
N,N-diethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 42890836
3-[(2S,4S)-4-fluoro-2-(methylaminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 137840823
N-{2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-3,3-dimethylbutanamide
CID 16835719
N-(2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)butyramide
CID 16835720
N-isobutyl-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878712
7-methyl-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878715

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 56795810) is N-(2-amino-2-oxoethyl)-N-butyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-butyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-butyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCCCN(CC(N)=O)C(=O)c1cnc2ccc(C)cn2c1=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-butyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is DQNZUWACLCPUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-4-7-19(10-13(17)21)15(22)12-8-18-14-6-5-11(2)9-20(14)16(12)23/h5-6,8-9H,3-4,7,10H2,1-2H3,(H2,17,21).
What are the key properties of N-(2-amino-2-oxoethyl)-N-butyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2-amino-2-oxoethyl)-N-butyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-butyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56795810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).