N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide

C18H20FN3O — CID 55755699

IUPACN-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cccnc1N1CCCCC1
InChIInChI=1S/C18H20FN3O/c19-15-8-6-14(7-9-15)13-21-18(23)16-5-4-10-20-17(16)22-11-2-1-3-12-22/h4-10H,1-3,11-13H2,(H,21,23)
InChIKeyQSHWEZIHVKWBFN-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.14
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 55755699) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide
PubChem CID55755699
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC NameN-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cccnc1N1CCCCC1
InChIInChI=1S/C18H20FN3O/c19-15-8-6-14(7-9-15)13-21-18(23)16-5-4-10-20-17(16)22-11-2-1-3-12-22/h4-10H,1-3,11-13H2,(H,21,23)
InChIKeyQSHWEZIHVKWBFN-UHFFFAOYSA-N
XLogP3.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
2-morpholin-4-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 25486327
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 55972508
2-pyrrolidin-1-yl-N-(2H-triazol-4-ylmethyl)pyridine-3-carboxamide
CID 75512496
N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26996536
N-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 86998055
N-(2-aminoethyl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119383900
2-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 17482313
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 3417086
2-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305661
2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide
CID 84576375

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide (CID 55755699) is N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1cccnc1N1CCCCC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is QSHWEZIHVKWBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-15-8-6-14(7-9-15)13-21-18(23)16-5-4-10-20-17(16)22-11-2-1-3-12-22/h4-10H,1-3,11-13H2,(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 55755699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).