4,4-difluoro-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide;hydrochloride

C12H16ClF2N3O — CID 120954724

IUPAC4,4-difluoro-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1ccncc1)C1CC(F)(F)CN1
InChIInChI=1S/C12H15F2N3O.ClH/c13-12(14)7-10(17-8-12)11(18)16-6-3-9-1-4-15-5-2-9;/h1-2,4-5,10,17H,3,6-8H2,(H,16,18);1H
InChIKeyIMOBTIHXZIYUFM-UHFFFAOYSA-N
MW291.73 g/mol
LogP1.16
Rot. Bonds4

About 4,4-difluoro-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide;hydrochloride

4,4-difluoro-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120954724) has the molecular formula C12H16ClF2N3O and a molecular weight of 291.73 g/mol. Its IUPAC name is 4,4-difluoro-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID120954724
Molecular FormulaC12H16ClF2N3O
Molecular Weight291.73 g/mol
Exact Mass291.09
IUPAC Name4,4-difluoro-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1ccncc1)C1CC(F)(F)CN1
InChIInChI=1S/C12H15F2N3O.ClH/c13-12(14)7-10(17-8-12)11(18)16-6-3-9-1-4-15-5-2-9;/h1-2,4-5,10,17H,3,6-8H2,(H,16,18);1H
InChIKeyIMOBTIHXZIYUFM-UHFFFAOYSA-N
XLogP1.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-difluoro-N-(2-pyrazin-2-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120955430
(3R)-N-(2-pyridin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61178668
N-[(5-chloro-2-pyridinyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120955436
(3R)-1,1-dioxo-N-(2-pyridin-4-ylethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carboxamide
CID 99974762
(3S)-1,1-dioxo-N-(2-pyridin-4-ylethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carboxamide
CID 99974761
2-pyridin-4-ylethylcarbamothioic S-acid
CID 115170339
(2S)-4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 59436448
4-tert-butyl-4-methyl-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide
CID 130233505
N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120955458
2-fluoro-N-(2-pyridin-4-ylethyl)propanamide
CID 174360560
cis-(1S,2R)-2-(2-pyridin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 713934
(1S,2S,3R,4R)-3-(2-pyridin-4-ylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 50936509

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4,4-difluoro-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide;hydrochloride (CID 120954724) is 4,4-difluoro-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4,4-difluoro-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4,4-difluoro-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCCc1ccncc1)C1CC(F)(F)CN1.
What is the InChIKey of 4,4-difluoro-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is IMOBTIHXZIYUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O.ClH/c13-12(14)7-10(17-8-12)11(18)16-6-3-9-1-4-15-5-2-9;/h1-2,4-5,10,17H,3,6-8H2,(H,16,18);1H.
What are the key properties of 4,4-difluoro-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide;hydrochloride?
4,4-difluoro-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 291.73 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120954724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).