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

C16H26N4 — CID 105074260

IUPACN-methyl-1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-4-pyridinyl]methanamine
SMILESCNCc1ccncc1N1CCC2C(CCCN2C)C1
InChIInChI=1S/C16H26N4/c1-17-10-13-5-7-18-11-16(13)20-9-6-15-14(12-20)4-3-8-19(15)2/h5,7,11,14-15,17H,3-4,6,8-10,12H2,1-2H3
InChIKeyBVBUBRRXAAREOZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.72
Rot. Bonds3

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

N-methyl-1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-4-pyridinyl]methanamine (PubChem CID 105074260) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-methyl-1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-4-pyridinyl]methanamine
PubChem CID105074260
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-methyl-1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-4-pyridinyl]methanamine
SMILESCNCc1ccncc1N1CCC2C(CCCN2C)C1
InChIInChI=1S/C16H26N4/c1-17-10-13-5-7-18-11-16(13)20-9-6-15-14(12-20)4-3-8-19(15)2/h5,7,11,14-15,17H,3-4,6,8-10,12H2,1-2H3
InChIKeyBVBUBRRXAAREOZ-UHFFFAOYSA-N
XLogP1.72
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
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-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-4-pyridinyl]methanamine?
The IUPAC name of 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) is N-methyl-1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-4-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-4-pyridinyl]methanamine is CNCc1ccncc1N1CCC2C(CCCN2C)C1.
What is the InChIKey of N-methyl-1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-4-pyridinyl]methanamine?
The InChIKey is BVBUBRRXAAREOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-17-10-13-5-7-18-11-16(13)20-9-6-15-14(12-20)4-3-8-19(15)2/h5,7,11,14-15,17H,3-4,6,8-10,12H2,1-2H3.
What are the key properties of N-methyl-1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-4-pyridinyl]methanamine?
N-methyl-1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-4-pyridinyl]methanamine has a molecular weight of 274.41 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 105074260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).