5-[2-[(2R,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxy-N-methyl-1,6-naphthyridine-2-carboxamide

C18H21FN4O4 — CID 138705300

IUPAC5-[2-[(2R,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxy-N-methyl-1,6-naphthyridine-2-carboxamide
SMILESCNC(=O)c1nc2ccnc(OCC[C@H]3NC(=O)[C@@H](F)[C@H]3C)c2cc1OC
InChIInChI=1S/C18H21FN4O4/c1-9-11(23-16(24)14(9)19)5-7-27-18-10-8-13(26-3)15(17(25)20-2)22-12(10)4-6-21-18/h4,6,8-9,11,14H,5,7H2,1-3H3,(H,20,25)(H,23,24)/t9-,11+,14-/m0/s1
InChIKeyQAKVCONBMPCHKK-PXWWUCIGSA-N
MW376.39 g/mol
LogP1.24
Rot. Bonds6

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

5-[2-[(2R,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxy-N-methyl-1,6-naphthyridine-2-carboxamide (PubChem CID 138705300) has the molecular formula C18H21FN4O4 and a molecular weight of 376.39 g/mol. Its IUPAC name is 5-[2-[(2R,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxy-N-methyl-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[(2R,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxy-N-methyl-1,6-naphthyridine-2-carboxamide
PubChem CID138705300
Molecular FormulaC18H21FN4O4
Molecular Weight376.39 g/mol
Exact Mass376.15
IUPAC Name5-[2-[(2R,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxy-N-methyl-1,6-naphthyridine-2-carboxamide
SMILESCNC(=O)c1nc2ccnc(OCC[C@H]3NC(=O)[C@@H](F)[C@H]3C)c2cc1OC
InChIInChI=1S/C18H21FN4O4/c1-9-11(23-16(24)14(9)19)5-7-27-18-10-8-13(26-3)15(17(25)20-2)22-12(10)4-6-21-18/h4,6,8-9,11,14H,5,7H2,1-3H3,(H,20,25)(H,23,24)/t9-,11+,14-/m0/s1
InChIKeyQAKVCONBMPCHKK-PXWWUCIGSA-N
XLogP1.24
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxy-1,6-naphthyridine-2-carboxamide
CID 126622174
1-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxylic acid
CID 126622132
1-[[(2S,3S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 155582589
1-[2-[(2R,4S)-3-(fluoromethyl)-4-methyl-5-oxopyrrolidin-2-yl]ethoxy]-7-methoxyisoquinoline-6-carboxamide
CID 170055370
1-[2-[6-(hydroxymethyl)-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl]ethoxy]-7-methoxyisoquinoline-6-carboxamide
CID 134214185
1-[[(2S,3R,4R)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 118414556
1-[[(2S,3R,4R)-3,4-dimethyl-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 118414733
1-[2-[(1R,2R,5S)-5-fluoro-4-oxo-3-azabicyclo[3.2.0]heptan-2-yl]ethoxy]-7-methoxyisoquinoline-6-carboxamide
CID 134214227
6-cyclopropyloxy-4-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide
CID 134487367
7-methoxy-1-[[(1S,2S,5R)-6-methyl-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]isoquinoline-6-carboxamide
CID 118414309
1-[[(1S,2S,5R,6S)-6-fluoro-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 118424430
1-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methylamino]-7-methoxy-4-prop-1-ynylisoquinoline-6-carboxamide;1-[[(3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methylamino]-7-methoxyisoquinoline-6-carboxamide;1-[[(3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methylamino]-7-methoxy-4-prop-1-ynylisoquinoline-6-carboxamide
CID 160909747

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxy-N-methyl-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 5-[2-[(2R,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxy-N-methyl-1,6-naphthyridine-2-carboxamide (CID 138705300) is 5-[2-[(2R,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxy-N-methyl-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[(2R,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxy-N-methyl-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 5-[2-[(2R,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxy-N-methyl-1,6-naphthyridine-2-carboxamide is CNC(=O)c1nc2ccnc(OCC[C@H]3NC(=O)[C@@H](F)[C@H]3C)c2cc1OC.
What is the InChIKey of 5-[2-[(2R,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxy-N-methyl-1,6-naphthyridine-2-carboxamide?
The InChIKey is QAKVCONBMPCHKK-PXWWUCIGSA-N. The full InChI is InChI=1S/C18H21FN4O4/c1-9-11(23-16(24)14(9)19)5-7-27-18-10-8-13(26-3)15(17(25)20-2)22-12(10)4-6-21-18/h4,6,8-9,11,14H,5,7H2,1-3H3,(H,20,25)(H,23,24)/t9-,11+,14-/m0/s1.
What are the key properties of 5-[2-[(2R,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxy-N-methyl-1,6-naphthyridine-2-carboxamide?
5-[2-[(2R,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxy-N-methyl-1,6-naphthyridine-2-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]ethoxy]-3-methoxy-N-methyl-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 138705300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).