N-methyl-1-[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanamine

C17H28N4 — CID 81200310

IUPACN-methyl-1-[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanamine
SMILESCNCc1cnc(N2CCC3C(CCCN3C)C2)c(C)c1
InChIInChI=1S/C17H28N4/c1-13-9-14(10-18-2)11-19-17(13)21-8-6-16-15(12-21)5-4-7-20(16)3/h9,11,15-16,18H,4-8,10,12H2,1-3H3
InChIKeyAPMNWCDTWCJBFR-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.03
Rot. Bonds3

About N-methyl-1-[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanamine

N-methyl-1-[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanamine (PubChem CID 81200310) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanamine
PubChem CID81200310
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-methyl-1-[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanamine
SMILESCNCc1cnc(N2CCC3C(CCCN3C)C2)c(C)c1
InChIInChI=1S/C17H28N4/c1-13-9-14(10-18-2)11-19-17(13)21-8-6-16-15(12-21)5-4-7-20(16)3/h9,11,15-16,18H,4-8,10,12H2,1-3H3
InChIKeyAPMNWCDTWCJBFR-UHFFFAOYSA-N
XLogP2.03
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanamine with MolForge

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Related Compounds

[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanol
CID 81199999
1-[6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80636278
1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol
CID 106670475
1-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-chloro-3-pyridinyl]-N-methylmethanamine
CID 62282097
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
N-methyl-1-[6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methanamine
CID 81195517
5-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrimidin-2-amine
CID 81205894
1-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80635442
N-methyl-1-[6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrazin-2-yl]methanamine
CID 81199271
1-[6-(4-ethyl-3-methylpiperazin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80635594
1-[5-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]-N-methylmethanamine
CID 114852856
N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80636296

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanamine (CID 81200310) is N-methyl-1-[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanamine is CNCc1cnc(N2CCC3C(CCCN3C)C2)c(C)c1.
What is the InChIKey of N-methyl-1-[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanamine?
The InChIKey is APMNWCDTWCJBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-13-9-14(10-18-2)11-19-17(13)21-8-6-16-15(12-21)5-4-7-20(16)3/h9,11,15-16,18H,4-8,10,12H2,1-3H3.
What are the key properties of N-methyl-1-[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanamine?
N-methyl-1-[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanamine has a molecular weight of 288.44 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 81200310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).