2-[[(4aS,8aR)-1-[2-(methylamino)ethyl]-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C20H27N5O2 — CID 70734724

IUPAC2-[[(4aS,8aR)-1-[2-(methylamino)ethyl]-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCNCCN1C(=O)CC[C@H]2CN(Cc3cc(=O)n4ccccc4n3)CC[C@H]21
InChIInChI=1S/C20H27N5O2/c1-21-8-11-24-17-7-10-23(13-15(17)5-6-19(24)26)14-16-12-20(27)25-9-3-2-4-18(25)22-16/h2-4,9,12,15,17,21H,5-8,10-11,13-14H2,1H3/t15-,17+/m0/s1
InChIKeyYFQQBWXPXOHNNY-DOTOQJQBSA-N
MW369.47 g/mol
LogP0.73
Rot. Bonds5

About 2-[[(4aS,8aR)-1-[2-(methylamino)ethyl]-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[(4aS,8aR)-1-[2-(methylamino)ethyl]-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 70734724) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[[(4aS,8aR)-1-[2-(methylamino)ethyl]-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(4aS,8aR)-1-[2-(methylamino)ethyl]-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID70734724
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-[[(4aS,8aR)-1-[2-(methylamino)ethyl]-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCNCCN1C(=O)CC[C@H]2CN(Cc3cc(=O)n4ccccc4n3)CC[C@H]21
InChIInChI=1S/C20H27N5O2/c1-21-8-11-24-17-7-10-23(13-15(17)5-6-19(24)26)14-16-12-20(27)25-9-3-2-4-18(25)22-16/h2-4,9,12,15,17,21H,5-8,10-11,13-14H2,1H3/t15-,17+/m0/s1
InChIKeyYFQQBWXPXOHNNY-DOTOQJQBSA-N
XLogP0.73
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(4aS,8aR)-1-[2-(methylamino)ethyl]-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

N-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]-3-[(1S,9aR)-octahydro-2H-quinolizin-1-yl]propanamide
CID 136233452
8-methyl-2-{[(4aS*,8aR*)-1-(3-methylbutyl)-2-oxooctahydro-1,6-naphthyridin-6(2H)-yl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 70721545
N-[2-(6-hydroxy-2-methyl-4-pyrimidinyl)ethyl]-3-[(1S,9aR)-octahydro-2H-quinolizin-1-yl]propanamide
CID 136233446
(3S)-1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-3-carboxamide
CID 8709715
(3R)-1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-1-ium-3-carboxamide
CID 8709719
2-[[4-[1-(2-Methylpropanoyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 43066566
N-hexyl-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide
CID 56250326
N-(3-methylbutan-2-yl)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide
CID 56358437
2-[[4-(Cyclohexanecarbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60401758
2-[[3-(1-Aminoethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 64022226
2-ethyl-8-[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70763289
2-(cyclopropylmethyl)-8-[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72855445

Frequently Asked Questions

What is the IUPAC name of 2-[[(4aS,8aR)-1-[2-(methylamino)ethyl]-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(4aS,8aR)-1-[2-(methylamino)ethyl]-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 70734724) is 2-[[(4aS,8aR)-1-[2-(methylamino)ethyl]-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(4aS,8aR)-1-[2-(methylamino)ethyl]-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(4aS,8aR)-1-[2-(methylamino)ethyl]-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is CNCCN1C(=O)CC[C@H]2CN(Cc3cc(=O)n4ccccc4n3)CC[C@H]21.
What is the InChIKey of 2-[[(4aS,8aR)-1-[2-(methylamino)ethyl]-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YFQQBWXPXOHNNY-DOTOQJQBSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-21-8-11-24-17-7-10-23(13-15(17)5-6-19(24)26)14-16-12-20(27)25-9-3-2-4-18(25)22-16/h2-4,9,12,15,17,21H,5-8,10-11,13-14H2,1H3/t15-,17+/m0/s1.
What are the key properties of 2-[[(4aS,8aR)-1-[2-(methylamino)ethyl]-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(4aS,8aR)-1-[2-(methylamino)ethyl]-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 369.47 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4aS,8aR)-1-[2-(methylamino)ethyl]-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 70734724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).