3-chloro-N-[2-(2,6-difluorophenyl)cyclopropyl]pyridine-4-carboxamide

C15H11ClF2N2O — CID 71986245

IUPAC3-chloro-N-[2-(2,6-difluorophenyl)cyclopropyl]pyridine-4-carboxamide
SMILESO=C(NC1CC1c1c(F)cccc1F)c1ccncc1Cl
InChIInChI=1S/C15H11ClF2N2O/c16-10-7-19-5-4-8(10)15(21)20-13-6-9(13)14-11(17)2-1-3-12(14)18/h1-5,7,9,13H,6H2,(H,20,21)
InChIKeyDALMITNRLNPDLE-UHFFFAOYSA-N
MW308.72 g/mol
LogP3.30
Rot. Bonds3

About 3-chloro-N-[2-(2,6-difluorophenyl)cyclopropyl]pyridine-4-carboxamide

3-chloro-N-[2-(2,6-difluorophenyl)cyclopropyl]pyridine-4-carboxamide (PubChem CID 71986245) has the molecular formula C15H11ClF2N2O and a molecular weight of 308.72 g/mol. Its IUPAC name is 3-chloro-N-[2-(2,6-difluorophenyl)cyclopropyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2,6-difluorophenyl)cyclopropyl]pyridine-4-carboxamide
PubChem CID71986245
Molecular FormulaC15H11ClF2N2O
Molecular Weight308.72 g/mol
Exact Mass308.05
IUPAC Name3-chloro-N-[2-(2,6-difluorophenyl)cyclopropyl]pyridine-4-carboxamide
SMILESO=C(NC1CC1c1c(F)cccc1F)c1ccncc1Cl
InChIInChI=1S/C15H11ClF2N2O/c16-10-7-19-5-4-8(10)15(21)20-13-6-9(13)14-11(17)2-1-3-12(14)18/h1-5,7,9,13H,6H2,(H,20,21)
InChIKeyDALMITNRLNPDLE-UHFFFAOYSA-N
XLogP3.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(1S,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]pyridine-4-carboxamide
CID 97219460
3-chloro-N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]pyridine-4-carboxamide
CID 97256978
N-(3-aminocyclobutyl)-3-chloropyridine-4-carboxamide
CID 66482226
3-chloro-N-(3,5-dimethylcyclohexyl)pyridine-4-carboxamide
CID 66482604
3-chloro-N-(3-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 66484528
N-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide
CID 66483792
3-fluoro-N-(2-methylcyclopropyl)pyridine-4-carboxamide
CID 115646459
1-(3-chlorophenyl)-3-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]urea
CID 97077156
4-[(3-chloropyridine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79210100
3-chloro-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 66482743
3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide
CID 66482936
1-(5-chloro-2-pyridinyl)-3-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]thiourea
CID 3001036

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2,6-difluorophenyl)cyclopropyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[2-(2,6-difluorophenyl)cyclopropyl]pyridine-4-carboxamide (CID 71986245) is 3-chloro-N-[2-(2,6-difluorophenyl)cyclopropyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(2,6-difluorophenyl)cyclopropyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(2,6-difluorophenyl)cyclopropyl]pyridine-4-carboxamide is O=C(NC1CC1c1c(F)cccc1F)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[2-(2,6-difluorophenyl)cyclopropyl]pyridine-4-carboxamide?
The InChIKey is DALMITNRLNPDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O/c16-10-7-19-5-4-8(10)15(21)20-13-6-9(13)14-11(17)2-1-3-12(14)18/h1-5,7,9,13H,6H2,(H,20,21).
What are the key properties of 3-chloro-N-[2-(2,6-difluorophenyl)cyclopropyl]pyridine-4-carboxamide?
3-chloro-N-[2-(2,6-difluorophenyl)cyclopropyl]pyridine-4-carboxamide has a molecular weight of 308.72 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2,6-difluorophenyl)cyclopropyl]pyridine-4-carboxamide is sourced from PubChem (CID 71986245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).