(1S,5R)-3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine

C14H16N4O — CID 118289426

IUPAC(1S,5R)-3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCOc1ccc2nccc(N3C[C@@H]4C(N)[C@@H]4C3)c2n1
InChIInChI=1S/C14H16N4O/c1-19-12-3-2-10-14(17-12)11(4-5-16-10)18-6-8-9(7-18)13(8)15/h2-5,8-9,13H,6-7,15H2,1H3/t8-,9+,13?
InChIKeyQCMMDJLGDSKXQW-PHXKMMTBSA-N
MW256.31 g/mol
LogP1.03
Rot. Bonds2

About (1S,5R)-3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine

(1S,5R)-3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 118289426) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (1S,5R)-3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name(1S,5R)-3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID118289426
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(1S,5R)-3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCOc1ccc2nccc(N3C[C@@H]4C(N)[C@@H]4C3)c2n1
InChIInChI=1S/C14H16N4O/c1-19-12-3-2-10-14(17-12)11(4-5-16-10)18-6-8-9(7-18)13(8)15/h2-5,8-9,13H,6-7,15H2,1H3/t8-,9+,13?
InChIKeyQCMMDJLGDSKXQW-PHXKMMTBSA-N
XLogP1.03
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 142701574
[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]methanamine
CID 66953692
1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-ol
CID 58955133
8-(3-ethylsulfanylpyrrolidin-1-yl)-2-methoxy-1,5-naphthyridine
CID 143181010
2-methoxy-8-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]-1,5-naphthyridine
CID 143180977
N'-[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]butane-1,4-diamine
CID 143180996
(5R)-5-[1-amino-1-[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]ethyl]-3-phenyl-1,3-oxazolidin-2-one
CID 66953825
[(4aS,6S,8aR)-6-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-yl]methanol
CID 68848241
(2R)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidine-2-carboxamide
CID 173033650
(5R)-3-(3-fluoro-4-methylphenyl)-5-[[[(1S,5R)-3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-1,3-oxazolidin-2-one
CID 25096931
5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]amino]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 66954645
5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 66954527

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of (1S,5R)-3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine (CID 118289426) is (1S,5R)-3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for (1S,5R)-3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for (1S,5R)-3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine is COc1ccc2nccc(N3C[C@@H]4C(N)[C@@H]4C3)c2n1.
What is the InChIKey of (1S,5R)-3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is QCMMDJLGDSKXQW-PHXKMMTBSA-N. The full InChI is InChI=1S/C14H16N4O/c1-19-12-3-2-10-14(17-12)11(4-5-16-10)18-6-8-9(7-18)13(8)15/h2-5,8-9,13H,6-7,15H2,1H3/t8-,9+,13?.
What are the key properties of (1S,5R)-3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine?
(1S,5R)-3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 256.31 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 118289426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).