N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide

C16H15F2N3O — CID 109203985

IUPACN-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C16H15F2N3O/c17-13-4-3-11(9-14(13)18)20-16(22)15-10-12(5-6-19-15)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8H2,(H,20,22)
InChIKeyWLQIZODCSUGXTN-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.21
Rot. Bonds3

About N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide

N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 109203985) has the molecular formula C16H15F2N3O and a molecular weight of 303.31 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID109203985
Molecular FormulaC16H15F2N3O
Molecular Weight303.31 g/mol
Exact Mass303.12
IUPAC NameN-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C16H15F2N3O/c17-13-4-3-11(9-14(13)18)20-16(22)15-10-12(5-6-19-15)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8H2,(H,20,22)
InChIKeyWLQIZODCSUGXTN-UHFFFAOYSA-N
XLogP3.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109218660
N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936
6-(azepan-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109355592
4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109204680
N-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112773692
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
N-[4-(difluoromethylsulfanyl)phenyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112773659
N-(4-ethylphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204642
N-(3-acetylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203933
4-amino-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 62154867
N-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203970
4-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109205065

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide (CID 109203985) is N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cc(N2CCCC2)ccn1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is WLQIZODCSUGXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O/c17-13-4-3-11(9-14(13)18)20-16(22)15-10-12(5-6-19-15)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8H2,(H,20,22).
What are the key properties of N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 303.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 109203985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).