4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine

C14H22N4 — CID 81197311

IUPAC4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine
SMILESCN1CCCC2CN(c3ccncc3N)CCC21
InChIInChI=1S/C14H22N4/c1-17-7-2-3-11-10-18(8-5-13(11)17)14-4-6-16-9-12(14)15/h4,6,9,11,13H,2-3,5,7-8,10,15H2,1H3
InChIKeyIICQYKKGDKCQDU-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.58
Rot. Bonds1

About 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine

4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine (PubChem CID 81197311) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine
PubChem CID81197311
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine
SMILESCN1CCCC2CN(c3ccncc3N)CCC21
InChIInChI=1S/C14H22N4/c1-17-7-2-3-11-10-18(8-5-13(11)17)14-4-6-16-9-12(14)15/h4,6,9,11,13H,2-3,5,7-8,10,15H2,1H3
InChIKeyIICQYKKGDKCQDU-UHFFFAOYSA-N
XLogP1.58
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine with MolForge

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Related Compounds

N-methyl-1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-4-pyridinyl]methanamine
CID 105074260
4-(3-methylsulfanylpyrrolidin-1-yl)pyridin-3-amine
CID 127004804
1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol
CID 102955442
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-3-amine
CID 79940469
4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine
CID 90205773
4-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide
CID 81199317
4-[4-(dimethylamino)piperidin-1-yl]pyridin-3-amine
CID 43585737
4-(azetidin-1-yl)pyridin-3-amine
CID 115011771
6-(6-chloropyridazin-3-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199920
5-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrimidin-2-amine
CID 81205894
N-methyl-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine
CID 104535461
5-amino-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylic acid
CID 81448030

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine?
The IUPAC name of 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine (CID 81197311) is 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine.
What is the SMILES notation for 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine?
The canonical SMILES for 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine is CN1CCCC2CN(c3ccncc3N)CCC21.
What is the InChIKey of 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine?
The InChIKey is IICQYKKGDKCQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-17-7-2-3-11-10-18(8-5-13(11)17)14-4-6-16-9-12(14)15/h4,6,9,11,13H,2-3,5,7-8,10,15H2,1H3.
What are the key properties of 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine?
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine has a molecular weight of 246.36 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine is sourced from PubChem (CID 81197311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).