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

C16H26N4 — CID 81200130

IUPACN-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine
SMILESCNc1ccnc(CN2CCC3C(CCCN3C)C2)c1
InChIInChI=1S/C16H26N4/c1-17-14-5-7-18-15(10-14)12-20-9-6-16-13(11-20)4-3-8-19(16)2/h5,7,10,13,16H,3-4,6,8-9,11-12H2,1-2H3,(H,17,18)
InChIKeySXQVISYILGEDJE-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.04
Rot. Bonds3

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

N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine (PubChem CID 81200130) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine
PubChem CID81200130
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine
SMILESCNc1ccnc(CN2CCC3C(CCCN3C)C2)c1
InChIInChI=1S/C16H26N4/c1-17-14-5-7-18-15(10-14)12-20-9-6-16-13(11-20)4-3-8-19(16)2/h5,7,10,13,16H,3-4,6,8-9,11-12H2,1-2H3,(H,17,18)
InChIKeySXQVISYILGEDJE-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine
CID 81200136
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-methylpyridin-4-amine
CID 115561757
N-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-4-amine
CID 79251355
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
2-(azepan-1-ylmethyl)-N-methylpyridin-4-amine
CID 79245088
6-[(5-bromo-2-pyridinyl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 115722974
N-methyl-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-amine
CID 79245636
N-methyl-1-[4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine
CID 81194985
6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridine-3-carboxylic acid
CID 81198910
(4aR,8aR)-6-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 97153651
[3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine
CID 114478897
N-methyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-4-amine
CID 79313187

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine?
The IUPAC name of N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine (CID 81200130) is N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine.
What is the SMILES notation for N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine?
The canonical SMILES for N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine is CNc1ccnc(CN2CCC3C(CCCN3C)C2)c1.
What is the InChIKey of N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine?
The InChIKey is SXQVISYILGEDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-17-14-5-7-18-15(10-14)12-20-9-6-16-13(11-20)4-3-8-19(16)2/h5,7,10,13,16H,3-4,6,8-9,11-12H2,1-2H3,(H,17,18).
What are the key properties of N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine?
N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 81200130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).