6-(2,2-difluorocyclopropyl)-5-fluoro-N-[(5-fluoro-4-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide

C16H13F4N3O — CID 166012151

IUPAC6-(2,2-difluorocyclopropyl)-5-fluoro-N-[(5-fluoro-4-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCc1c(F)cncc1CNC(=O)c1cnc(C2CC2(F)F)c(F)c1
InChIInChI=1S/C16H13F4N3O/c1-8-10(4-21-7-13(8)18)6-23-15(24)9-2-12(17)14(22-5-9)11-3-16(11,19)20/h2,4-5,7,11H,3,6H2,1H3,(H,23,24)
InChIKeySELFSBCTSKPMSJ-UHFFFAOYSA-N
MW339.29 g/mol
LogP3.12
Rot. Bonds4

About 6-(2,2-difluorocyclopropyl)-5-fluoro-N-[(5-fluoro-4-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide

6-(2,2-difluorocyclopropyl)-5-fluoro-N-[(5-fluoro-4-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 166012151) has the molecular formula C16H13F4N3O and a molecular weight of 339.29 g/mol. Its IUPAC name is 6-(2,2-difluorocyclopropyl)-5-fluoro-N-[(5-fluoro-4-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,2-difluorocyclopropyl)-5-fluoro-N-[(5-fluoro-4-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID166012151
Molecular FormulaC16H13F4N3O
Molecular Weight339.29 g/mol
Exact Mass339.10
IUPAC Name6-(2,2-difluorocyclopropyl)-5-fluoro-N-[(5-fluoro-4-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
SMILESCc1c(F)cncc1CNC(=O)c1cnc(C2CC2(F)F)c(F)c1
InChIInChI=1S/C16H13F4N3O/c1-8-10(4-21-7-13(8)18)6-23-15(24)9-2-12(17)14(22-5-9)11-3-16(11,19)20/h2,4-5,7,11H,3,6H2,1H3,(H,23,24)
InChIKeySELFSBCTSKPMSJ-UHFFFAOYSA-N
XLogP3.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2,2-difluorocyclopropyl)-5-fluoro-N-[(5-fluoro-4-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[[4-(3,3-difluorocyclobutyl)pyrimidin-5-yl]methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 166012116
6-(difluoromethoxy)-N-[(4-ethoxy-5-fluoro-3-pyridinyl)methyl]-5-fluoropyridine-3-carboxamide
CID 166012076
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
3,5-difluoro-4-hydrazinyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114957550
4-(difluoromethyl)-3,5-difluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 166012096
3-fluoro-4-methyl-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 124970354
3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 63186397
3,4,5-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63189301
5-N-tert-butyl-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105517
N-[(2-fluorophenyl)methyl]pyrido[2,3-b]pyrazine-7-carboxamide
CID 110851225
3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736056
5-N-(2-ethylphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105539

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluorocyclopropyl)-5-fluoro-N-[(5-fluoro-4-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2,2-difluorocyclopropyl)-5-fluoro-N-[(5-fluoro-4-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide (CID 166012151) is 6-(2,2-difluorocyclopropyl)-5-fluoro-N-[(5-fluoro-4-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,2-difluorocyclopropyl)-5-fluoro-N-[(5-fluoro-4-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2,2-difluorocyclopropyl)-5-fluoro-N-[(5-fluoro-4-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide is Cc1c(F)cncc1CNC(=O)c1cnc(C2CC2(F)F)c(F)c1.
What is the InChIKey of 6-(2,2-difluorocyclopropyl)-5-fluoro-N-[(5-fluoro-4-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is SELFSBCTSKPMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N3O/c1-8-10(4-21-7-13(8)18)6-23-15(24)9-2-12(17)14(22-5-9)11-3-16(11,19)20/h2,4-5,7,11H,3,6H2,1H3,(H,23,24).
What are the key properties of 6-(2,2-difluorocyclopropyl)-5-fluoro-N-[(5-fluoro-4-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide?
6-(2,2-difluorocyclopropyl)-5-fluoro-N-[(5-fluoro-4-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 339.29 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluorocyclopropyl)-5-fluoro-N-[(5-fluoro-4-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 166012151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).