2-[(3S)-pyrrolidin-3-yl]-1,8-naphthyridine

C12H13N3 — CID 124702274

IUPAC2-[(3S)-pyrrolidin-3-yl]-1,8-naphthyridine
SMILESc1cnc2nc([C@H]3CCNC3)ccc2c1
InChIInChI=1S/C12H13N3/c1-2-9-3-4-11(10-5-7-13-8-10)15-12(9)14-6-1/h1-4,6,10,13H,5,7-8H2/t10-/m0/s1
InChIKeyRPRSTNQODVPNHB-JTQLQIEISA-N
MW199.26 g/mol
LogP1.71
Rot. Bonds1

About 2-[(3S)-pyrrolidin-3-yl]-1,8-naphthyridine

2-[(3S)-pyrrolidin-3-yl]-1,8-naphthyridine (PubChem CID 124702274) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-[(3S)-pyrrolidin-3-yl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-[(3S)-pyrrolidin-3-yl]-1,8-naphthyridine
PubChem CID124702274
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2-[(3S)-pyrrolidin-3-yl]-1,8-naphthyridine
SMILESc1cnc2nc([C@H]3CCNC3)ccc2c1
InChIInChI=1S/C12H13N3/c1-2-9-3-4-11(10-5-7-13-8-10)15-12(9)14-6-1/h1-4,6,10,13H,5,7-8H2/t10-/m0/s1
InChIKeyRPRSTNQODVPNHB-JTQLQIEISA-N
XLogP1.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 95814825
N,N-dimethyl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 92615182
8-pyrrolidin-3-ylquinoline;hydrochloride
CID 169498293
2-(azetidin-3-yl)-1,10-phenanthroline;hydrochloride
CID 154791527
3-pyrrolidin-3-ylisoquinoline
CID 84774980
2-pyrrolidin-3-yl-1H-pyrrolo[3,2-b]pyridine
CID 24759625
1,8-naphthyridine;piperazine
CID 157389388
4-[(3R)-pyrrolidin-3-yl]pyrimidine
CID 129369776
3-pyrrolidin-3-ylpyridin-2-amine;hydrochloride
CID 153387419
tert-butyl 3-(1,8-naphthyridin-2-yl)azetidine-1-carboxylate
CID 66641449
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 155981275
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 167825296

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-pyrrolidin-3-yl]-1,8-naphthyridine?
The IUPAC name of 2-[(3S)-pyrrolidin-3-yl]-1,8-naphthyridine (CID 124702274) is 2-[(3S)-pyrrolidin-3-yl]-1,8-naphthyridine.
What is the SMILES notation for 2-[(3S)-pyrrolidin-3-yl]-1,8-naphthyridine?
The canonical SMILES for 2-[(3S)-pyrrolidin-3-yl]-1,8-naphthyridine is c1cnc2nc([C@H]3CCNC3)ccc2c1.
What is the InChIKey of 2-[(3S)-pyrrolidin-3-yl]-1,8-naphthyridine?
The InChIKey is RPRSTNQODVPNHB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13N3/c1-2-9-3-4-11(10-5-7-13-8-10)15-12(9)14-6-1/h1-4,6,10,13H,5,7-8H2/t10-/m0/s1.
What are the key properties of 2-[(3S)-pyrrolidin-3-yl]-1,8-naphthyridine?
2-[(3S)-pyrrolidin-3-yl]-1,8-naphthyridine has a molecular weight of 199.26 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-pyrrolidin-3-yl]-1,8-naphthyridine is sourced from PubChem (CID 124702274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).