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

C17H28N4 — CID 104535460

IUPAC5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-propylpyridin-3-amine
SMILESCCCNc1cncc(N2CCC3C(CCCN3C)C2)c1
InChIInChI=1S/C17H28N4/c1-3-7-19-15-10-16(12-18-11-15)21-9-6-17-14(13-21)5-4-8-20(17)2/h10-12,14,17,19H,3-9,13H2,1-2H3
InChIKeyOWLJWFATSXWOKL-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.82
Rot. Bonds4

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

5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-propylpyridin-3-amine (PubChem CID 104535460) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-propylpyridin-3-amine.

Molecular Properties

Compound Name5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-propylpyridin-3-amine
PubChem CID104535460
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-propylpyridin-3-amine
SMILESCCCNc1cncc(N2CCC3C(CCCN3C)C2)c1
InChIInChI=1S/C17H28N4/c1-3-7-19-15-10-16(12-18-11-15)21-9-6-17-14(13-21)5-4-8-20(17)2/h10-12,14,17,19H,3-9,13H2,1-2H3
InChIKeyOWLJWFATSXWOKL-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-propylpyridin-3-amine?
The IUPAC name of 5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-propylpyridin-3-amine (CID 104535460) is 5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-propylpyridin-3-amine.
What is the SMILES notation for 5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-propylpyridin-3-amine?
The canonical SMILES for 5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-propylpyridin-3-amine is CCCNc1cncc(N2CCC3C(CCCN3C)C2)c1.
What is the InChIKey of 5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-propylpyridin-3-amine?
The InChIKey is OWLJWFATSXWOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-7-19-15-10-16(12-18-11-15)21-9-6-17-14(13-21)5-4-8-20(17)2/h10-12,14,17,19H,3-9,13H2,1-2H3.
What are the key properties of 5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-propylpyridin-3-amine?
5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-propylpyridin-3-amine has a molecular weight of 288.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-propylpyridin-3-amine is sourced from PubChem (CID 104535460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).