6-(4-fluorophenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide

C25H26FN3O — CID 67070349

IUPAC6-(4-fluorophenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(CN2CCCC2)cc1)c1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C25H26FN3O/c26-23-10-7-21(8-11-23)24-12-9-22(17-28-24)25(30)27-14-13-19-3-5-20(6-4-19)18-29-15-1-2-16-29/h3-12,17H,1-2,13-16,18H2,(H,27,30)
InChIKeyGGHCEJOEIVTFRZ-UHFFFAOYSA-N
MW403.50 g/mol
LogP4.46
Rot. Bonds7

About 6-(4-fluorophenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide

6-(4-fluorophenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 67070349) has the molecular formula C25H26FN3O and a molecular weight of 403.50 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide
PubChem CID67070349
Molecular FormulaC25H26FN3O
Molecular Weight403.50 g/mol
Exact Mass403.21
IUPAC Name6-(4-fluorophenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(CN2CCCC2)cc1)c1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C25H26FN3O/c26-23-10-7-21(8-11-23)24-12-9-22(17-28-24)25(30)27-14-13-19-3-5-20(6-4-19)18-29-15-1-2-16-29/h3-12,17H,1-2,13-16,18H2,(H,27,30)
InChIKeyGGHCEJOEIVTFRZ-UHFFFAOYSA-N
XLogP4.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methoxyphenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 23090893
N-[3-(4-fluorophenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 46773438
4-(4-chlorophenyl)-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]benzamide
CID 11743571
N-[2-(4-chlorophenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 94773934
6-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 53035860
4-pentyl-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide
CID 23090890
N-[2-(4-fluorophenyl)ethyl]-6-hydrazinylpyridine-3-carboxamide
CID 62237222
(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724346
N-[2-(1H-imidazol-5-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 50982303
N-(4-hydroxycyclohexyl)-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide
CID 122558965
2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 644372
N-[2-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 27019140

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide (CID 67070349) is 6-(4-fluorophenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide is O=C(NCCc1ccc(CN2CCCC2)cc1)c1ccc(-c2ccc(F)cc2)nc1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide?
The InChIKey is GGHCEJOEIVTFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O/c26-23-10-7-21(8-11-23)24-12-9-22(17-28-24)25(30)27-14-13-19-3-5-20(6-4-19)18-29-15-1-2-16-29/h3-12,17H,1-2,13-16,18H2,(H,27,30).
What are the key properties of 6-(4-fluorophenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide?
6-(4-fluorophenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 67070349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).