5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide

C18H18FN3O2 — CID 154779989

IUPAC5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2CCCC2Cc2ccc(F)cc2)cn1
InChIInChI=1S/C18H18FN3O2/c19-14-6-3-12(4-7-14)10-15-2-1-9-22(15)18(24)13-5-8-16(17(20)23)21-11-13/h3-8,11,15H,1-2,9-10H2,(H2,20,23)
InChIKeyBJKPZOOMCFVEFL-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.17
Rot. Bonds4

About 5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide

5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 154779989) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide
PubChem CID154779989
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2CCCC2Cc2ccc(F)cc2)cn1
InChIInChI=1S/C18H18FN3O2/c19-14-6-3-12(4-7-14)10-15-2-1-9-22(15)18(24)13-5-8-16(17(20)23)21-11-13/h3-8,11,15H,1-2,9-10H2,(H2,20,23)
InChIKeyBJKPZOOMCFVEFL-UHFFFAOYSA-N
XLogP2.17
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide
CID 94805691
5-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124698524
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 84511159
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone
CID 110411316
5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]thiophene-3-carboxamide
CID 136578762
3-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 110661811
(2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 125147875
5-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]pyridine-2-carboxamide
CID 124592813
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 54885795
(6-amino-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 70706949
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-[2-(hydroxymethyl)-1,3-thiazol-4-yl]methanone
CID 126839363
(2-ethylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
CID 63971232

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of 5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide (CID 154779989) is 5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide is NC(=O)c1ccc(C(=O)N2CCCC2Cc2ccc(F)cc2)cn1.
What is the InChIKey of 5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is BJKPZOOMCFVEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-14-6-3-12(4-7-14)10-15-2-1-9-22(15)18(24)13-5-8-16(17(20)23)21-11-13/h3-8,11,15H,1-2,9-10H2,(H2,20,23).
What are the key properties of 5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide?
5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 154779989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).