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

C17H28N4 — CID 81195517

IUPACN-methyl-1-[6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methanamine
SMILESCNCc1ccc(CN2CCC3C(CCCN3C)C2)nc1
InChIInChI=1S/C17H28N4/c1-18-10-14-5-6-16(19-11-14)13-21-9-7-17-15(12-21)4-3-8-20(17)2/h5-6,11,15,17-18H,3-4,7-10,12-13H2,1-2H3
InChIKeyCRZQLVQBIGYNQR-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.72
Rot. Bonds4

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

N-methyl-1-[6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methanamine (PubChem CID 81195517) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-methyl-1-[6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methanamine
PubChem CID81195517
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-methyl-1-[6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methanamine
SMILESCNCc1ccc(CN2CCC3C(CCCN3C)C2)nc1
InChIInChI=1S/C17H28N4/c1-18-10-14-5-6-16(19-11-14)13-21-9-7-17-15(12-21)4-3-8-20(17)2/h5-6,11,15,17-18H,3-4,7-10,12-13H2,1-2H3
InChIKeyCRZQLVQBIGYNQR-UHFFFAOYSA-N
XLogP1.72
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methanamine?
The IUPAC name of 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) is N-methyl-1-[6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methanamine is CNCc1ccc(CN2CCC3C(CCCN3C)C2)nc1.
What is the InChIKey of N-methyl-1-[6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methanamine?
The InChIKey is CRZQLVQBIGYNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-18-10-14-5-6-16(19-11-14)13-21-9-7-17-15(12-21)4-3-8-20(17)2/h5-6,11,15,17-18H,3-4,7-10,12-13H2,1-2H3.
What are the key properties of N-methyl-1-[6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methanamine?
N-methyl-1-[6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methanamine has a molecular weight of 288.44 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 81195517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).