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

C15H18N4O3 — CID 56795807

IUPACN-(2-amino-2-oxoethyl)-N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H18N4O3/c1-2-3-7-18(10-12(16)20)14(21)11-9-17-13-6-4-5-8-19(13)15(11)22/h4-6,8-9H,2-3,7,10H2,1H3,(H2,16,20)
InChIKeyNJVLGJDMELDTGQ-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.42
Rot. Bonds6

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

N-(2-amino-2-oxoethyl)-N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 56795807) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID56795807
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-(2-amino-2-oxoethyl)-N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C15H18N4O3/c1-2-3-7-18(10-12(16)20)14(21)11-9-17-13-6-4-5-8-19(13)15(11)22/h4-6,8-9H,2-3,7,10H2,1H3,(H2,16,20)
InChIKeyNJVLGJDMELDTGQ-UHFFFAOYSA-N
XLogP0.42
TPSA97.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115771474
N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 71941067
butyl 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 113222289
N-(3-hydroxybutyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115673352
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide
CID 54942284
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 107482606
N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24627026
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24676961
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
N-(2-amino-2-oxoethyl)-N-butyl-2,3-dihydroxybenzamide
CID 114344176
5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-methylpyrazole-4-carboxamide
CID 113288554
N-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 99176967

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 56795807) is N-(2-amino-2-oxoethyl)-N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCCCN(CC(N)=O)C(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is NJVLGJDMELDTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-2-3-7-18(10-12(16)20)14(21)11-9-17-13-6-4-5-8-19(13)15(11)22/h4-6,8-9H,2-3,7,10H2,1H3,(H2,16,20).
What are the key properties of N-(2-amino-2-oxoethyl)-N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2-amino-2-oxoethyl)-N-butyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 0.42, 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-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56795807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).