N-(2,2-difluoroethyl)-6-fluoro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-2-carboxamide

C17H23F3N4O — CID 169148875

IUPACN-(2,2-difluoroethyl)-6-fluoro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-2-carboxamide
SMILESO=C(NCC(F)F)c1ccc(N2CCC(N3CCCC3)CC2)c(F)n1
InChIInChI=1S/C17H23F3N4O/c18-15(19)11-21-17(25)13-3-4-14(16(20)22-13)24-9-5-12(6-10-24)23-7-1-2-8-23/h3-4,12,15H,1-2,5-11H2,(H,21,25)
InChIKeyKOYZZENHGQZHJQ-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.28
Rot. Bonds5

About N-(2,2-difluoroethyl)-6-fluoro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-2-carboxamide

N-(2,2-difluoroethyl)-6-fluoro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-2-carboxamide (PubChem CID 169148875) has the molecular formula C17H23F3N4O and a molecular weight of 356.39 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-6-fluoro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-6-fluoro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-2-carboxamide
PubChem CID169148875
Molecular FormulaC17H23F3N4O
Molecular Weight356.39 g/mol
Exact Mass356.18
IUPAC NameN-(2,2-difluoroethyl)-6-fluoro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-2-carboxamide
SMILESO=C(NCC(F)F)c1ccc(N2CCC(N3CCCC3)CC2)c(F)n1
InChIInChI=1S/C17H23F3N4O/c18-15(19)11-21-17(25)13-3-4-14(16(20)22-13)24-9-5-12(6-10-24)23-7-1-2-8-23/h3-4,12,15H,1-2,5-11H2,(H,21,25)
InChIKeyKOYZZENHGQZHJQ-UHFFFAOYSA-N
XLogP2.28
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-difluoroethyl)-5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]-6-fluoropyridine-2-carboxamide
CID 169149184
N-(2,2-difluoroethyl)-6-fluoro-5-hydroxypyridine-2-carboxamide
CID 176996036
5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)piperidin-4-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 176560575
N-ethyl-5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-6-fluoropyridine-2-carboxamide
CID 176560384
6-(2,2-difluoroethylcarbamoyl)pyridine-2-carboxylic acid
CID 115408328
6-fluoro-N-methyl-5-[4-[3-(6-oxo-5-propyl-1H-pyridin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 169148659
(6-fluoro-2-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115497554
N-(2-hydroxyethyl)-8-methyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide
CID 145084287
6-fluoro-N-methyl-5-[4-[3-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 176748248
5-[4-(3-tert-butylpiperidin-1-yl)piperidin-1-yl]-6-chloro-N-methylpyridine-2-carboxamide
CID 176748297
6-fluoro-N-[(3R)-oxolan-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide
CID 171559656
8-methyl-N-propyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide
CID 145084151

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-6-fluoro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-6-fluoro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-2-carboxamide (CID 169148875) is N-(2,2-difluoroethyl)-6-fluoro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-6-fluoro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-6-fluoro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-2-carboxamide is O=C(NCC(F)F)c1ccc(N2CCC(N3CCCC3)CC2)c(F)n1.
What is the InChIKey of N-(2,2-difluoroethyl)-6-fluoro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-2-carboxamide?
The InChIKey is KOYZZENHGQZHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O/c18-15(19)11-21-17(25)13-3-4-14(16(20)22-13)24-9-5-12(6-10-24)23-7-1-2-8-23/h3-4,12,15H,1-2,5-11H2,(H,21,25).
What are the key properties of N-(2,2-difluoroethyl)-6-fluoro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-2-carboxamide?
N-(2,2-difluoroethyl)-6-fluoro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-2-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-6-fluoro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 169148875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).