N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

C17H18FN3O — CID 110414295

IUPACN-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCN(c2ccc(F)cc2)C1)c1cccnc1
InChIInChI=1S/C17H18FN3O/c18-15-3-5-16(6-4-15)21-9-7-13(12-21)10-20-17(22)14-2-1-8-19-11-14/h1-6,8,11,13H,7,9-10,12H2,(H,20,22)
InChIKeySBDSORJBUGDUNI-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.48
Rot. Bonds4

About N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 110414295) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
PubChem CID110414295
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC NameN-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCN(c2ccc(F)cc2)C1)c1cccnc1
InChIInChI=1S/C17H18FN3O/c18-15-3-5-16(6-4-15)21-9-7-13(12-21)10-20-17(22)14-2-1-8-19-11-14/h1-6,8,11,13H,7,9-10,12H2,(H,20,22)
InChIKeySBDSORJBUGDUNI-UHFFFAOYSA-N
XLogP2.48
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110414263
6-(diethylamino)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 48680767
4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 72931509
N-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128990675
N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 97310044
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 35220191
4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
CID 91624801
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414259
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 125444699
2-(difluoromethoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
CID 51125497

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (CID 110414295) is N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is O=C(NCC1CCN(c2ccc(F)cc2)C1)c1cccnc1.
What is the InChIKey of N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is SBDSORJBUGDUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-15-3-5-16(6-4-15)21-9-7-13(12-21)10-20-17(22)14-2-1-8-19-11-14/h1-6,8,11,13H,7,9-10,12H2,(H,20,22).
What are the key properties of N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 299.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 110414295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).