N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide

C17H18FN3O — CID 71938987

IUPACN-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(N1CCCC1)N(Cc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O/c18-15-5-7-16(8-6-15)21(13-14-4-3-9-19-12-14)17(22)20-10-1-2-11-20/h3-9,12H,1-2,10-11,13H2
InChIKeyAVVAXDOXFOSLAY-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.44
Rot. Bonds3

About N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide

N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 71938987) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID71938987
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC NameN-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(N1CCCC1)N(Cc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O/c18-15-5-7-16(8-6-15)21(13-14-4-3-9-19-12-14)17(22)20-10-1-2-11-20/h3-9,12H,1-2,10-11,13H2
InChIKeyAVVAXDOXFOSLAY-UHFFFAOYSA-N
XLogP3.44
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360828
N-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 110360930
N-(4-fluorophenyl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 13304879
N-(3-aminopropyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 79160812
N-(4-fluorophenyl)-2-(6-methyl-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide
CID 75416170
N-(4-fluorophenyl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360811
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide
CID 110360844
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360820
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 162380155
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 110360995
3-[(4-fluoro-N-sulfinoanilino)methyl]pyridine
CID 174419300
N-(4-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 95625827

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide (CID 71938987) is N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide is O=C(N1CCCC1)N(Cc1cccnc1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is AVVAXDOXFOSLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-15-5-7-16(8-6-15)21(13-14-4-3-9-19-12-14)17(22)20-10-1-2-11-20/h3-9,12H,1-2,10-11,13H2.
What are the key properties of N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 299.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71938987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).