1-[2-[(3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one

C15H19FN4O2 — CID 68809816

IUPAC1-[2-[(3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
SMILESNC[C@H]1CN(CCn2c(=O)ccc3ncc(F)cc32)C[C@H]1O
InChIInChI=1S/C15H19FN4O2/c16-11-5-13-12(18-7-11)1-2-15(22)20(13)4-3-19-8-10(6-17)14(21)9-19/h1-2,5,7,10,14,21H,3-4,6,8-9,17H2/t10-,14+/m0/s1
InChIKeySRVLFEJOLCLICS-IINYFYTJSA-N
MW306.34 g/mol
LogP-0.21
Rot. Bonds4

About 1-[2-[(3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one

1-[2-[(3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one (PubChem CID 68809816) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-[2-[(3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[(3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
PubChem CID68809816
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name1-[2-[(3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
SMILESNC[C@H]1CN(CCn2c(=O)ccc3ncc(F)cc32)C[C@H]1O
InChIInChI=1S/C15H19FN4O2/c16-11-5-13-12(18-7-11)1-2-15(22)20(13)4-3-19-8-10(6-17)14(21)9-19/h1-2,5,7,10,14,21H,3-4,6,8-9,17H2/t10-,14+/m0/s1
InChIKeySRVLFEJOLCLICS-IINYFYTJSA-N
XLogP-0.21
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-[(3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one (CID 68809816) is 1-[2-[(3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[(3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-[(3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one is NC[C@H]1CN(CCn2c(=O)ccc3ncc(F)cc32)C[C@H]1O.
What is the InChIKey of 1-[2-[(3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The InChIKey is SRVLFEJOLCLICS-IINYFYTJSA-N. The full InChI is InChI=1S/C15H19FN4O2/c16-11-5-13-12(18-7-11)1-2-15(22)20(13)4-3-19-8-10(6-17)14(21)9-19/h1-2,5,7,10,14,21H,3-4,6,8-9,17H2/t10-,14+/m0/s1.
What are the key properties of 1-[2-[(3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
1-[2-[(3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one has a molecular weight of 306.34 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S,4S)-3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one is sourced from PubChem (CID 68809816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).