N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide

C18H20FN3O — CID 84506470

IUPACN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCCC1)c1cccnc1
InChIInChI=1S/C18H20FN3O/c19-16-7-5-14(6-8-16)17(22-10-1-2-11-22)13-21-18(23)15-4-3-9-20-12-15/h3-9,12,17H,1-2,10-11,13H2,(H,21,23)
InChIKeyDINZSRGKIQNFHT-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.79
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide

N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide (PubChem CID 84506470) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
PubChem CID84506470
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC NameN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCCC1)c1cccnc1
InChIInChI=1S/C18H20FN3O/c19-16-7-5-14(6-8-16)17(22-10-1-2-11-22)13-21-18(23)15-4-3-9-20-12-15/h3-9,12,17H,1-2,10-11,13H2,(H,21,23)
InChIKeyDINZSRGKIQNFHT-UHFFFAOYSA-N
XLogP2.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]pyridine-3-carboxamide
CID 91834380
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylpyridine-4-carboxamide
CID 118794898
N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide
CID 93157610
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2,6-dimethylpyridine-4-carboxamide
CID 74238178
4-fluoro-N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide
CID 94793640
N-[3-[4-[[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]piperidin-1-yl]phenyl]pyridine-3-carboxamide
CID 125159053
3-fluoro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]pyridine-4-carboxamide
CID 99973037
N-[(2R)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97187717
5-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]thiophene-2-carboxylic acid
CID 74242695
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide (CID 84506470) is N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide is O=C(NCC(c1ccc(F)cc1)N1CCCC1)c1cccnc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide?
The InChIKey is DINZSRGKIQNFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-16-7-5-14(6-8-16)17(22-10-1-2-11-22)13-21-18(23)15-4-3-9-20-12-15/h3-9,12,17H,1-2,10-11,13H2,(H,21,23).
What are the key properties of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide?
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 84506470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).