N-[4-cyano-3-(5-fluoro-3-pyridinyl)phenyl]-4-methylpiperidine-1-carboxamide

C19H19FN4O — CID 170617302

IUPACN-[4-cyano-3-(5-fluoro-3-pyridinyl)phenyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(C#N)c(-c3cncc(F)c3)c2)CC1
InChIInChI=1S/C19H19FN4O/c1-13-4-6-24(7-5-13)19(25)23-17-3-2-14(10-21)18(9-17)15-8-16(20)12-22-11-15/h2-3,8-9,11-13H,4-7H2,1H3,(H,23,25)
InChIKeyROLOZWKICLZENF-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.02
Rot. Bonds2

About N-[4-cyano-3-(5-fluoro-3-pyridinyl)phenyl]-4-methylpiperidine-1-carboxamide

N-[4-cyano-3-(5-fluoro-3-pyridinyl)phenyl]-4-methylpiperidine-1-carboxamide (PubChem CID 170617302) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[4-cyano-3-(5-fluoro-3-pyridinyl)phenyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-3-(5-fluoro-3-pyridinyl)phenyl]-4-methylpiperidine-1-carboxamide
PubChem CID170617302
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC NameN-[4-cyano-3-(5-fluoro-3-pyridinyl)phenyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(C#N)c(-c3cncc(F)c3)c2)CC1
InChIInChI=1S/C19H19FN4O/c1-13-4-6-24(7-5-13)19(25)23-17-3-2-14(10-21)18(9-17)15-8-16(20)12-22-11-15/h2-3,8-9,11-13H,4-7H2,1H3,(H,23,25)
InChIKeyROLOZWKICLZENF-UHFFFAOYSA-N
XLogP4.02
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 78839686
ethanol;N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]piperidine-1-carboxamide;molecular hydrogen;hydroiodide
CID 170617268
(1R,2R,5R)-2-cyano-N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 170617393
2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 107793053
N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223585
N-[4-chloro-3-(5-fluoro-3-pyridinyl)phenyl]-3-methyl-6-azabicyclo[3.1.1]heptane-6-carboxamide
CID 170431408
N-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide
CID 47197271
4-methyl-N-pyrimidin-5-ylpiperidine-1-carboxamide
CID 104859349
(1S,4R,5S)-5-cyano-N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 170617226
1-[(4-cyano-3-fluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103154
4-methyl-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide
CID 115742442
N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 103774793

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(5-fluoro-3-pyridinyl)phenyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[4-cyano-3-(5-fluoro-3-pyridinyl)phenyl]-4-methylpiperidine-1-carboxamide (CID 170617302) is N-[4-cyano-3-(5-fluoro-3-pyridinyl)phenyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[4-cyano-3-(5-fluoro-3-pyridinyl)phenyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[4-cyano-3-(5-fluoro-3-pyridinyl)phenyl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2ccc(C#N)c(-c3cncc(F)c3)c2)CC1.
What is the InChIKey of N-[4-cyano-3-(5-fluoro-3-pyridinyl)phenyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is ROLOZWKICLZENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-13-4-6-24(7-5-13)19(25)23-17-3-2-14(10-21)18(9-17)15-8-16(20)12-22-11-15/h2-3,8-9,11-13H,4-7H2,1H3,(H,23,25).
What are the key properties of N-[4-cyano-3-(5-fluoro-3-pyridinyl)phenyl]-4-methylpiperidine-1-carboxamide?
N-[4-cyano-3-(5-fluoro-3-pyridinyl)phenyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(5-fluoro-3-pyridinyl)phenyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 170617302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).