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

C17H28N4 — CID 81200136

IUPACN-ethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine
SMILESCCNc1ccnc(CN2CCC3C(CCCN3C)C2)c1
InChIInChI=1S/C17H28N4/c1-3-18-15-6-8-19-16(11-15)13-21-10-7-17-14(12-21)5-4-9-20(17)2/h6,8,11,14,17H,3-5,7,9-10,12-13H2,1-2H3,(H,18,19)
InChIKeyWPJJLSJEPSBHBB-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.43
Rot. Bonds4

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

N-ethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine (PubChem CID 81200136) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-ethyl-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-ethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine
PubChem CID81200136
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-ethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine
SMILESCCNc1ccnc(CN2CCC3C(CCCN3C)C2)c1
InChIInChI=1S/C17H28N4/c1-3-18-15-6-8-19-16(11-15)13-21-10-7-17-14(12-21)5-4-9-20(17)2/h6,8,11,14,17H,3-5,7,9-10,12-13H2,1-2H3,(H,18,19)
InChIKeyWPJJLSJEPSBHBB-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

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
N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-4-amine
CID 79245667
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-ethylpyridin-4-amine
CID 102728154
N-ethyl-2-[(3-propylpyrrolidin-1-yl)methyl]pyridin-4-amine
CID 112549006
6-[(5-bromo-2-pyridinyl)methyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 115722974
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-[(4,4-dimethylazepan-1-yl)methyl]-N-ethylpyridin-4-amine
CID 79251280
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-N-methylpyridin-4-amine
CID 115561757
1-[[4-(ethylamino)-2-pyridinyl]methyl]-N-methylpiperidine-4-carboxamide
CID 79245258
6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridine-3-carboxylic acid
CID 81198910
N-ethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]pyridin-4-amine
CID 79313465
2-[[4-(ethylamino)-2-pyridinyl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81097574

Frequently Asked Questions

What is the IUPAC name of N-ethyl-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-ethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine (CID 81200136) is N-ethyl-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-ethyl-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-ethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine is CCNc1ccnc(CN2CCC3C(CCCN3C)C2)c1.
What is the InChIKey of N-ethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine?
The InChIKey is WPJJLSJEPSBHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-18-15-6-8-19-16(11-15)13-21-10-7-17-14(12-21)5-4-9-20(17)2/h6,8,11,14,17H,3-5,7,9-10,12-13H2,1-2H3,(H,18,19).
What are the key properties of N-ethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridin-4-amine?
N-ethyl-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 288.44 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-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 81200136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).