2-fluoro-N-[3-(5-fluoro-2-methylphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide

C20H17F2N3O2 — CID 166123806

IUPAC2-fluoro-N-[3-(5-fluoro-2-methylphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3F)cc2n(C)c1=O
InChIInChI=1S/C20H17F2N3O2/c1-10-3-4-12(21)6-13(10)14-5-11-9-23-18(8-17(11)25(2)20(14)27)24-19(26)15-7-16(15)22/h3-6,8-9,15-16H,7H2,1-2H3,(H,23,24,26)
InChIKeyNIZBCANMXDASHI-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.34
Rot. Bonds3

About 2-fluoro-N-[3-(5-fluoro-2-methylphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide

2-fluoro-N-[3-(5-fluoro-2-methylphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (PubChem CID 166123806) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is 2-fluoro-N-[3-(5-fluoro-2-methylphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(5-fluoro-2-methylphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
PubChem CID166123806
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC Name2-fluoro-N-[3-(5-fluoro-2-methylphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3F)cc2n(C)c1=O
InChIInChI=1S/C20H17F2N3O2/c1-10-3-4-12(21)6-13(10)14-5-11-9-23-18(8-17(11)25(2)20(14)27)24-19(26)15-7-16(15)22/h3-6,8-9,15-16H,7H2,1-2H3,(H,23,24,26)
InChIKeyNIZBCANMXDASHI-UHFFFAOYSA-N
XLogP3.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2R)-2-fluoro-N-[3-(5-fluoro-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123747
cis-(1R,2R)-2-fluoro-N-[3-[6-[(1S)-1-hydroxyethyl]-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123775
cis-(1S,2S)-2-fluoro-N-[1-methyl-3-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123711
cis-(1R,2R)-2-fluoro-N-[3-[6-(4-fluorobutanoyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 171556510
CID 166123464
CID 166123464
N-[1-ethyl-3-(4-methyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide
CID 166123847
cis-(1R,2R)-N-[3-[6-[(1R)-1-deuterio-1-hydroxybut-3-enyl]-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide
CID 171556491
cis-(1S,2S)-2-fluoro-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropane-1-carboxamide
CID 163252292
(1R)-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 71134963
(1S)-2,2-difluoro-N-[3-(5-fluoro-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 167188299
N-[3-[2-[(E)-1,1-dihydroxybut-2-enyl]-4-methyl-1,2-dihydropyridin-5-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide
CID 171556471
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxamide
CID 162287747

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(5-fluoro-2-methylphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-fluoro-N-[3-(5-fluoro-2-methylphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (CID 166123806) is 2-fluoro-N-[3-(5-fluoro-2-methylphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-[3-(5-fluoro-2-methylphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-fluoro-N-[3-(5-fluoro-2-methylphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3F)cc2n(C)c1=O.
What is the InChIKey of 2-fluoro-N-[3-(5-fluoro-2-methylphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The InChIKey is NIZBCANMXDASHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c1-10-3-4-12(21)6-13(10)14-5-11-9-23-18(8-17(11)25(2)20(14)27)24-19(26)15-7-16(15)22/h3-6,8-9,15-16H,7H2,1-2H3,(H,23,24,26).
What are the key properties of 2-fluoro-N-[3-(5-fluoro-2-methylphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
2-fluoro-N-[3-(5-fluoro-2-methylphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide has a molecular weight of 369.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(5-fluoro-2-methylphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166123806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).