N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide

C16H15F2N3O — CID 95614562

IUPACN-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1cccnc1
InChIInChI=1S/C16H15F2N3O/c17-12-3-4-15(14(18)8-12)21-7-5-13(10-21)20-16(22)11-2-1-6-19-9-11/h1-4,6,8-9,13H,5,7,10H2,(H,20,22)/t13-/m1/s1
InChIKeySWARRFAYBOWYGM-CYBMUJFWSA-N
MW303.31 g/mol
LogP2.37
Rot. Bonds3

About N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide

N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 95614562) has the molecular formula C16H15F2N3O and a molecular weight of 303.31 g/mol. Its IUPAC name is N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID95614562
Molecular FormulaC16H15F2N3O
Molecular Weight303.31 g/mol
Exact Mass303.12
IUPAC NameN-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1cccnc1
InChIInChI=1S/C16H15F2N3O/c17-12-3-4-15(14(18)8-12)21-7-5-13(10-21)20-16(22)11-2-1-6-19-9-11/h1-4,6,8-9,13H,5,7,10H2,(H,20,22)/t13-/m1/s1
InChIKeySWARRFAYBOWYGM-CYBMUJFWSA-N
XLogP2.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid
CID 66622606
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]pyridine-3-carboxamide
CID 75528402
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide
CID 86896565
N'-[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide
CID 55616843
N-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 95614864
4-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 75478044
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 56782524
4-[[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyridine-3-carboxamide
CID 97307055
N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-N'-phenyloxamide
CID 95614867
N-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-5-fluoro-1-benzofuran-2-carboxamide
CID 86967753
N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 53185597
N-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 47813446

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide (CID 95614562) is N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide is O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1cccnc1.
What is the InChIKey of N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is SWARRFAYBOWYGM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15F2N3O/c17-12-3-4-15(14(18)8-12)21-7-5-13(10-21)20-16(22)11-2-1-6-19-9-11/h1-4,6,8-9,13H,5,7,10H2,(H,20,22)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 303.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95614562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).