4,4-difluoro-2-(hydroxymethyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]pyrrolidine-1-carboxamide

C16H21F2N3O2 — CID 154741750

IUPAC4,4-difluoro-2-(hydroxymethyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCC1(c2ccccn2)CCC1)N1CC(F)(F)CC1CO
InChIInChI=1S/C16H21F2N3O2/c17-16(18)8-12(9-22)21(11-16)14(23)20-10-15(5-3-6-15)13-4-1-2-7-19-13/h1-2,4,7,12,22H,3,5-6,8-11H2,(H,20,23)
InChIKeyLNKGMKUDPDWLFM-UHFFFAOYSA-N
MW325.36 g/mol
LogP1.91
Rot. Bonds4

About 4,4-difluoro-2-(hydroxymethyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]pyrrolidine-1-carboxamide

4,4-difluoro-2-(hydroxymethyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 154741750) has the molecular formula C16H21F2N3O2 and a molecular weight of 325.36 g/mol. Its IUPAC name is 4,4-difluoro-2-(hydroxymethyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-2-(hydroxymethyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]pyrrolidine-1-carboxamide
PubChem CID154741750
Molecular FormulaC16H21F2N3O2
Molecular Weight325.36 g/mol
Exact Mass325.16
IUPAC Name4,4-difluoro-2-(hydroxymethyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCC1(c2ccccn2)CCC1)N1CC(F)(F)CC1CO
InChIInChI=1S/C16H21F2N3O2/c17-16(18)8-12(9-22)21(11-16)14(23)20-10-15(5-3-6-15)13-4-1-2-7-19-13/h1-2,4,7,12,22H,3,5-6,8-11H2,(H,20,23)
InChIKeyLNKGMKUDPDWLFM-UHFFFAOYSA-N
XLogP1.91
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea
CID 110478720
3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide
CID 110477352
1-(2-methyltetrazol-5-yl)-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea
CID 138054517
2-oxo-N-[(1-pyridin-2-ylcyclobutyl)methyl]-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166250068
1-(2,6-difluorophenyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]methanesulfonamide
CID 138997292
2-(1-pyridin-2-ylcyclobutyl)ethanol
CID 83683269
tert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride
CID 154702927
4-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]butanamide
CID 110479887
1-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 58790405
(2S,3S)-1-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 138012998
(3R)-1-benzyl-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 124617392
1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea
CID 154836948

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-(hydroxymethyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 4,4-difluoro-2-(hydroxymethyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]pyrrolidine-1-carboxamide (CID 154741750) is 4,4-difluoro-2-(hydroxymethyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-2-(hydroxymethyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 4,4-difluoro-2-(hydroxymethyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]pyrrolidine-1-carboxamide is O=C(NCC1(c2ccccn2)CCC1)N1CC(F)(F)CC1CO.
What is the InChIKey of 4,4-difluoro-2-(hydroxymethyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is LNKGMKUDPDWLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O2/c17-16(18)8-12(9-22)21(11-16)14(23)20-10-15(5-3-6-15)13-4-1-2-7-19-13/h1-2,4,7,12,22H,3,5-6,8-11H2,(H,20,23).
What are the key properties of 4,4-difluoro-2-(hydroxymethyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]pyrrolidine-1-carboxamide?
4,4-difluoro-2-(hydroxymethyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 325.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-(hydroxymethyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 154741750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).