1-[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]ethanamine

C17H23FN4O — CID 70898198

IUPAC1-[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
SMILESCOc1ccc2ncc(F)c(CCN3CC[C@@H](C(C)N)C3)c2n1
InChIInChI=1S/C17H23FN4O/c1-11(19)12-5-7-22(10-12)8-6-13-14(18)9-20-15-3-4-16(23-2)21-17(13)15/h3-4,9,11-12H,5-8,10,19H2,1-2H3/t11?,12-/m1/s1
InChIKeyWDKCRUCSTOQIKU-PIJUOVFKSA-N
MW318.40 g/mol
LogP1.99
Rot. Bonds5

About 1-[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]ethanamine

1-[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]ethanamine (PubChem CID 70898198) has the molecular formula C17H23FN4O and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
PubChem CID70898198
Molecular FormulaC17H23FN4O
Molecular Weight318.40 g/mol
Exact Mass318.19
IUPAC Name1-[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]ethanamine
SMILESCOc1ccc2ncc(F)c(CCN3CC[C@@H](C(C)N)C3)c2n1
InChIInChI=1S/C17H23FN4O/c1-11(19)12-5-7-22(10-12)8-6-13-14(18)9-20-15-3-4-16(23-2)21-17(13)15/h3-4,9,11-12H,5-8,10,19H2,1-2H3/t11?,12-/m1/s1
InChIKeyWDKCRUCSTOQIKU-PIJUOVFKSA-N
XLogP1.99
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-[2-(3-azabicyclo[3.2.0]heptan-3-yl)ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine
CID 143269696
(3aR,4R,6aS)-2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 59011507
3-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octan-6-amine
CID 59130268
8-[2-[(3aR,6aS)-5-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine
CID 59011512
benzyl-[[(3S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamic acid
CID 68576913
3-(aminomethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-ol
CID 68576770
5-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(4-methylphenyl)-1,3-oxazole
CID 177226839
7-fluoro-2-methoxy-8-[2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-1,5-naphthyridine
CID 177226876
(E)-1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-3-(4-methylphenyl)-N-propan-2-ylbut-2-en-1-imine
CID 177226836
N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine;hydrochloride
CID 10097081
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 72999723
6-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-amine
CID 141165400

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]ethanamine (CID 70898198) is 1-[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]ethanamine is COc1ccc2ncc(F)c(CCN3CC[C@@H](C(C)N)C3)c2n1.
What is the InChIKey of 1-[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is WDKCRUCSTOQIKU-PIJUOVFKSA-N. The full InChI is InChI=1S/C17H23FN4O/c1-11(19)12-5-7-22(10-12)8-6-13-14(18)9-20-15-3-4-16(23-2)21-17(13)15/h3-4,9,11-12H,5-8,10,19H2,1-2H3/t11?,12-/m1/s1.
What are the key properties of 1-[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]ethanamine?
1-[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 318.40 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 70898198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).