3-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one

C17H20N4O2 — CID 146043356

IUPAC3-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CC[C@@H]2NCCC[C@@H]2C1
InChIInChI=1S/C17H20N4O2/c22-16(20-9-6-14-12(11-20)4-3-7-18-14)13-10-19-15-5-1-2-8-21(15)17(13)23/h1-2,5,8,10,12,14,18H,3-4,6-7,9,11H2/t12-,14+/m1/s1
InChIKeyIFPOVSQXYXQHSD-OCCSQVGLSA-N
MW312.37 g/mol
LogP0.91
Rot. Bonds1

About 3-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one

3-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 146043356) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID146043356
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1cnc2ccccn2c1=O)N1CC[C@@H]2NCCC[C@@H]2C1
InChIInChI=1S/C17H20N4O2/c22-16(20-9-6-14-12(11-20)4-3-7-18-14)13-10-19-15-5-1-2-8-21(15)17(13)23/h1-2,5,8,10,12,14,18H,3-4,6-7,9,11H2/t12-,14+/m1/s1
InChIKeyIFPOVSQXYXQHSD-OCCSQVGLSA-N
XLogP0.91
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

N-[3-(2-ethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458497
4-oxo-N-[3-(trifluoromethyl)cyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 45868927
4-oxo-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 93534867
4-oxo-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 93534868
4-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 93534869
4-oxo-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 93534870
N-{3-[4-(aminocarbonyl)piperidin-1-yl]propyl}-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 131895160
N-[3-(2-ethylpiperidin-1-yl)propyl]-9-methyl-2,4-dioxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 145917468
N-[3-(2-ethylpiperidin-1-yl)propyl]-8-methyl-2,4-dioxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 145917479
N-[3-(2-ethylpiperidin-1-yl)propyl]-2,4-dioxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 145917488
N-(4-butylcyclohexyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 126668400
6-methyl-N-(4-methylcyclohexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 126668559

Frequently Asked Questions

What is the IUPAC name of 3-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one (CID 146043356) is 3-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one is O=C(c1cnc2ccccn2c1=O)N1CC[C@@H]2NCCC[C@@H]2C1.
What is the InChIKey of 3-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IFPOVSQXYXQHSD-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-16(20-9-6-14-12(11-20)4-3-7-18-14)13-10-19-15-5-1-2-8-21(15)17(13)23/h1-2,5,8,10,12,14,18H,3-4,6-7,9,11H2/t12-,14+/m1/s1.
What are the key properties of 3-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one?
3-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 312.37 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 146043356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).