N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H16N4O3 — CID 16614902

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cnc3ccccn3c2=O)c(=O)[nH]1
InChIInChI=1S/C17H16N4O3/c1-10-7-11(2)20-16(23)12(10)8-19-15(22)13-9-18-14-5-3-4-6-21(14)17(13)24/h3-7,9H,8H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyAPMSGPZPXCNIHE-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.93
Rot. Bonds3

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 16614902) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID16614902
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cnc3ccccn3c2=O)c(=O)[nH]1
InChIInChI=1S/C17H16N4O3/c1-10-7-11(2)20-16(23)12(10)8-19-15(22)13-9-18-14-5-3-4-6-21(14)17(13)24/h3-7,9H,8H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyAPMSGPZPXCNIHE-UHFFFAOYSA-N
XLogP0.93
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

2-benzyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86891370
N-[(3-methylthiophen-2-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 134059639
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38094875
N-[(2-chloro-6-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131889223
N-[(2-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3396388
N-(2,6-dimethylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575304
4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 134057826
N-(2-methylsulfinylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110226043
N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119499484
4-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16622345
N-[(5-bromo-2-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 46472876
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131943923

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 16614902) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cc(C)c(CNC(=O)c2cnc3ccccn3c2=O)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is APMSGPZPXCNIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-10-7-11(2)20-16(23)12(10)8-19-15(22)13-9-18-14-5-3-4-6-21(14)17(13)24/h3-7,9H,8H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 16614902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).