5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxy-1,6-naphthyridine-2-carboxamide

C17H19FN4O4 — CID 126622174

IUPAC5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxy-1,6-naphthyridine-2-carboxamide
SMILESCC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1nccc2nc(C(N)=O)c(OC)cc12
InChIInChI=1S/C17H19FN4O4/c1-3-8-11(22-16(24)13(8)18)7-26-17-9-6-12(25-2)14(15(19)23)21-10(9)4-5-20-17/h4-6,8,11,13H,3,7H2,1-2H3,(H2,19,23)(H,22,24)/t8-,11+,13-/m0/s1
InChIKeyKHEGVZYNVSLIHK-KDDOJWQBSA-N
MW362.36 g/mol
LogP0.98
Rot. Bonds6

About 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxy-1,6-naphthyridine-2-carboxamide

5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxy-1,6-naphthyridine-2-carboxamide (PubChem CID 126622174) has the molecular formula C17H19FN4O4 and a molecular weight of 362.36 g/mol. Its IUPAC name is 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxy-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxy-1,6-naphthyridine-2-carboxamide
PubChem CID126622174
Molecular FormulaC17H19FN4O4
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxy-1,6-naphthyridine-2-carboxamide
SMILESCC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1nccc2nc(C(N)=O)c(OC)cc12
InChIInChI=1S/C17H19FN4O4/c1-3-8-11(22-16(24)13(8)18)7-26-17-9-6-12(25-2)14(15(19)23)21-10(9)4-5-20-17/h4-6,8,11,13H,3,7H2,1-2H3,(H2,19,23)(H,22,24)/t8-,11+,13-/m0/s1
InChIKeyKHEGVZYNVSLIHK-KDDOJWQBSA-N
XLogP0.98
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxy-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxy-1,6-naphthyridine-2-carboxamide (CID 126622174) is 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxy-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxy-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxy-1,6-naphthyridine-2-carboxamide is CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1nccc2nc(C(N)=O)c(OC)cc12.
What is the InChIKey of 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxy-1,6-naphthyridine-2-carboxamide?
The InChIKey is KHEGVZYNVSLIHK-KDDOJWQBSA-N. The full InChI is InChI=1S/C17H19FN4O4/c1-3-8-11(22-16(24)13(8)18)7-26-17-9-6-12(25-2)14(15(19)23)21-10(9)4-5-20-17/h4-6,8,11,13H,3,7H2,1-2H3,(H2,19,23)(H,22,24)/t8-,11+,13-/m0/s1.
What are the key properties of 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxy-1,6-naphthyridine-2-carboxamide?
5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxy-1,6-naphthyridine-2-carboxamide has a molecular weight of 362.36 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxy-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 126622174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).