N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3,5-difluoropyridine-2-carboxamide

C19H21F2N3O — CID 125165434

IUPACN-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3,5-difluoropyridine-2-carboxamide
SMILESO=C(NCC[C@@H]1CCN(Cc2ccccc2)C1)c1ncc(F)cc1F
InChIInChI=1S/C19H21F2N3O/c20-16-10-17(21)18(23-11-16)19(25)22-8-6-15-7-9-24(13-15)12-14-4-2-1-3-5-14/h1-5,10-11,15H,6-9,12-13H2,(H,22,25)/t15-/m1/s1
InChIKeyIMSLWHVMIXYBAL-OAHLLOKOSA-N
MW345.39 g/mol
LogP3.00
Rot. Bonds6

About N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3,5-difluoropyridine-2-carboxamide

N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3,5-difluoropyridine-2-carboxamide (PubChem CID 125165434) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3,5-difluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3,5-difluoropyridine-2-carboxamide
PubChem CID125165434
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC NameN-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3,5-difluoropyridine-2-carboxamide
SMILESO=C(NCC[C@@H]1CCN(Cc2ccccc2)C1)c1ncc(F)cc1F
InChIInChI=1S/C19H21F2N3O/c20-16-10-17(21)18(23-11-16)19(25)22-8-6-15-7-9-24(13-15)12-14-4-2-1-3-5-14/h1-5,10-11,15H,6-9,12-13H2,(H,22,25)/t15-/m1/s1
InChIKeyIMSLWHVMIXYBAL-OAHLLOKOSA-N
XLogP3.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-fluoro-6-methoxybenzamide
CID 125169754
3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide
CID 91778553
N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-4,4,4-trifluorobutanamide
CID 124758221
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide
CID 124753121
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-4-chloro-1,3-dimethylpyrazole-5-carboxamide
CID 99937090
tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
CID 97170435
1-[2-(1-benzylpyrrolidin-3-yl)ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 118770726
1-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 125157500
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 124514796
ethyl 3-[2-(1-benzylpiperidin-4-yl)ethylcarbamoyl]pyrazine-2-carboxylate
CID 14553408
3-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 126448355
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-fluorophenyl)thiourea
CID 10044752

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3,5-difluoropyridine-2-carboxamide?
The IUPAC name of N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3,5-difluoropyridine-2-carboxamide (CID 125165434) is N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3,5-difluoropyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3,5-difluoropyridine-2-carboxamide?
The canonical SMILES for N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3,5-difluoropyridine-2-carboxamide is O=C(NCC[C@@H]1CCN(Cc2ccccc2)C1)c1ncc(F)cc1F.
What is the InChIKey of N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3,5-difluoropyridine-2-carboxamide?
The InChIKey is IMSLWHVMIXYBAL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21F2N3O/c20-16-10-17(21)18(23-11-16)19(25)22-8-6-15-7-9-24(13-15)12-14-4-2-1-3-5-14/h1-5,10-11,15H,6-9,12-13H2,(H,22,25)/t15-/m1/s1.
What are the key properties of N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3,5-difluoropyridine-2-carboxamide?
N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3,5-difluoropyridine-2-carboxamide has a molecular weight of 345.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3,5-difluoropyridine-2-carboxamide is sourced from PubChem (CID 125165434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).