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

C15H24N4 — CID 104535461

IUPACN-methyl-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine
SMILESCNc1cncc(N2CCC3C(CCCN3C)C2)c1
InChIInChI=1S/C15H24N4/c1-16-13-8-14(10-17-9-13)19-7-5-15-12(11-19)4-3-6-18(15)2/h8-10,12,15-16H,3-7,11H2,1-2H3
InChIKeyJMKQKKCIOSRBPK-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.04
Rot. Bonds2

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

N-methyl-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine (PubChem CID 104535461) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-methyl-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine
PubChem CID104535461
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-methyl-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine
SMILESCNc1cncc(N2CCC3C(CCCN3C)C2)c1
InChIInChI=1S/C15H24N4/c1-16-13-8-14(10-17-9-13)19-7-5-15-12(11-19)4-3-6-18(15)2/h8-10,12,15-16H,3-7,11H2,1-2H3
InChIKeyJMKQKKCIOSRBPK-UHFFFAOYSA-N
XLogP2.04
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine?
The IUPAC name of N-methyl-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine (CID 104535461) is N-methyl-5-(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 N-methyl-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine?
The canonical SMILES for N-methyl-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine is CNc1cncc(N2CCC3C(CCCN3C)C2)c1.
What is the InChIKey of N-methyl-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine?
The InChIKey is JMKQKKCIOSRBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-16-13-8-14(10-17-9-13)19-7-5-15-12(11-19)4-3-6-18(15)2/h8-10,12,15-16H,3-7,11H2,1-2H3.
What are the key properties of N-methyl-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine?
N-methyl-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine has a molecular weight of 260.38 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine is sourced from PubChem (CID 104535461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).