[(3S)-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methanamine

C16H22N4O — CID 59026168

IUPAC[(3S)-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methanamine
SMILESCOc1ccc2nccc(CCN3CC[C@@H](CN)C3)c2n1
InChIInChI=1S/C16H22N4O/c1-21-15-3-2-14-16(19-15)13(4-7-18-14)6-9-20-8-5-12(10-17)11-20/h2-4,7,12H,5-6,8-11,17H2,1H3/t12-/m0/s1
InChIKeyJNFIVOXEHUSMOE-LBPRGKRZSA-N
MW286.38 g/mol
LogP1.46
Rot. Bonds5

About [(3S)-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methanamine

[(3S)-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methanamine (PubChem CID 59026168) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is [(3S)-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S)-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methanamine
PubChem CID59026168
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name[(3S)-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methanamine
SMILESCOc1ccc2nccc(CCN3CC[C@@H](CN)C3)c2n1
InChIInChI=1S/C16H22N4O/c1-21-15-3-2-14-16(19-15)13(4-7-18-14)6-9-20-8-5-12(10-17)11-20/h2-4,7,12H,5-6,8-11,17H2,1H3/t12-/m0/s1
InChIKeyJNFIVOXEHUSMOE-LBPRGKRZSA-N
XLogP1.46
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-[2-(3-ethylpyrrolidin-1-yl)ethyl]-2-methoxy-1,5-naphthyridine
CID 71178673
1-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]-1-methylhydrazine
CID 58919507
4-[2-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethyl]-N,N-dimethylaniline
CID 165017215
2-methylpropyl N-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 68852328
8-(2-cyclohexylethyl)-2-methoxy-1,5-naphthyridine
CID 68566539
[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]methanamine
CID 66953692
[1-(2-quinolin-8-ylethyl)pyrrolidin-3-yl]methanamine
CID 81427571
tert-butyl N-[3-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3-azabicyclo[4.1.0]heptan-6-yl]carbamate
CID 59776917
(Z)-N'-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(prop-2-enyliminomethyl)prop-1-ene-1,3-diamine
CID 154685077
[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 62994364
1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylmethanamine;2-methoxy-8-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine
CID 143159535
(3S,4S)-4-[[(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-ol
CID 11677117

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3S)-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methanamine (CID 59026168) is [(3S)-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3S)-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3S)-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methanamine is COc1ccc2nccc(CCN3CC[C@@H](CN)C3)c2n1.
What is the InChIKey of [(3S)-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methanamine?
The InChIKey is JNFIVOXEHUSMOE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N4O/c1-21-15-3-2-14-16(19-15)13(4-7-18-14)6-9-20-8-5-12(10-17)11-20/h2-4,7,12H,5-6,8-11,17H2,1H3/t12-/m0/s1.
What are the key properties of [(3S)-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methanamine?
[(3S)-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methanamine has a molecular weight of 286.38 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 59026168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).