6-(3,3-difluoropyrrolidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide

C18H19F2N3O — CID 143994451

IUPAC6-(3,3-difluoropyrrolidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCC(F)(F)C3)nc2)cc1C
InChIInChI=1S/C18H19F2N3O/c1-12-3-5-15(9-13(12)2)22-17(24)14-4-6-16(21-10-14)23-8-7-18(19,20)11-23/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,24)
InChIKeyAONQXZPYMBOLEJ-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.80
Rot. Bonds3

About 6-(3,3-difluoropyrrolidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide

6-(3,3-difluoropyrrolidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 143994451) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is 6-(3,3-difluoropyrrolidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,3-difluoropyrrolidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
PubChem CID143994451
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name6-(3,3-difluoropyrrolidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCC(F)(F)C3)nc2)cc1C
InChIInChI=1S/C18H19F2N3O/c1-12-3-5-15(9-13(12)2)22-17(24)14-4-6-16(21-10-14)23-8-7-18(19,20)11-23/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,24)
InChIKeyAONQXZPYMBOLEJ-UHFFFAOYSA-N
XLogP3.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
6-(4-cyclohepta-1,3,6-trien-1-yl-4-hydroxypiperidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide;ethane
CID 143994505
4-[4-[5-[(3,4-dimethylphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 91059200
6-(3,3-difluoropyrrolidin-1-yl)-N-(4-fluoro-2-methylsulfonylphenyl)pyridine-3-carboxamide
CID 172605516
N-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959344
N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154932
ethyl 3-[[4-[5-[(3,4-dimethylphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carbonyl]amino]propanoate
CID 143994466
N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654345
N-tert-butyl-4-[5-[(3-iodo-4-methylphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 59318126
ethyl 4-[5-[(3,4-dimethylbenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014233
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109159983
6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid
CID 121200824

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide (CID 143994451) is 6-(3,3-difluoropyrrolidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,3-difluoropyrrolidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(3,3-difluoropyrrolidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(N3CCC(F)(F)C3)nc2)cc1C.
What is the InChIKey of 6-(3,3-difluoropyrrolidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is AONQXZPYMBOLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c1-12-3-5-15(9-13(12)2)22-17(24)14-4-6-16(21-10-14)23-8-7-18(19,20)11-23/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,24).
What are the key properties of 6-(3,3-difluoropyrrolidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide?
6-(3,3-difluoropyrrolidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoropyrrolidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 143994451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).