N-(2,2-difluoroethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide

C12H15F2N3O — CID 73440112

IUPACN-(2,2-difluoroethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide
SMILESO=C(NCC(F)F)c1cc(C2CCCN2)ccn1
InChIInChI=1S/C12H15F2N3O/c13-11(14)7-17-12(18)10-6-8(3-5-16-10)9-2-1-4-15-9/h3,5-6,9,11,15H,1-2,4,7H2,(H,17,18)
InChIKeyGJMZAABKQFIFGM-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.50
Rot. Bonds4

About N-(2,2-difluoroethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide

N-(2,2-difluoroethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide (PubChem CID 73440112) has the molecular formula C12H15F2N3O and a molecular weight of 255.27 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide
PubChem CID73440112
Molecular FormulaC12H15F2N3O
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC NameN-(2,2-difluoroethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide
SMILESO=C(NCC(F)F)c1cc(C2CCCN2)ccn1
InChIInChI=1S/C12H15F2N3O/c13-11(14)7-17-12(18)10-6-8(3-5-16-10)9-2-1-4-15-9/h3,5-6,9,11,15H,1-2,4,7H2,(H,17,18)
InChIKeyGJMZAABKQFIFGM-UHFFFAOYSA-N
XLogP1.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-6-[(2S)-pyrrolidin-2-yl]pyridine-2-carboxamide
CID 125017412
N-(2-phenylethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide
CID 110257602
4-piperidin-3-yl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 110257631
2-methyl-4-pyrrolidin-2-ylpyridine;dihydrochloride
CID 155487324
(4-piperidin-2-yl-2-pyridinyl)methanol
CID 84772444
N-ethyl-4-[(2-methylpiperidin-3-yl)amino]pyridine-2-carboxamide
CID 114695697
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 104955318
N-ethyl-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide
CID 106621257
4-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-ethylpyridine-2-carboxamide
CID 102683782
N-ethyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine-2-carboxamide
CID 62275462
N-ethyl-4-[(2-oxopiperidin-3-yl)amino]pyridine-2-carboxamide
CID 55033632
4-(2,2-difluoroethoxy)-N-(2-hydroxy-3-methylbutyl)pyridine-2-carboxamide
CID 110000225

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide (CID 73440112) is N-(2,2-difluoroethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide is O=C(NCC(F)F)c1cc(C2CCCN2)ccn1.
What is the InChIKey of N-(2,2-difluoroethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide?
The InChIKey is GJMZAABKQFIFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O/c13-11(14)7-17-12(18)10-6-8(3-5-16-10)9-2-1-4-15-9/h3,5-6,9,11,15H,1-2,4,7H2,(H,17,18).
What are the key properties of N-(2,2-difluoroethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide?
N-(2,2-difluoroethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide has a molecular weight of 255.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-4-pyrrolidin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 73440112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).