N-(2-cyanophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide

C20H20N4O2 — CID 109090441

IUPACN-(2-cyanophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCC1CCCN(C(=O)c2cc(C(=O)Nc3ccccc3C#N)ccn2)C1
InChIInChI=1S/C20H20N4O2/c1-14-5-4-10-24(13-14)20(26)18-11-15(8-9-22-18)19(25)23-17-7-3-2-6-16(17)12-21/h2-3,6-9,11,14H,4-5,10,13H2,1H3,(H,23,25)
InChIKeyKQCIQDWABGMYLG-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.08
Rot. Bonds3

About N-(2-cyanophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide

N-(2-cyanophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109090441) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109090441
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(2-cyanophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCC1CCCN(C(=O)c2cc(C(=O)Nc3ccccc3C#N)ccn2)C1
InChIInChI=1S/C20H20N4O2/c1-14-5-4-10-24(13-14)20(26)18-11-15(8-9-22-18)19(25)23-17-7-3-2-6-16(17)12-21/h2-3,6-9,11,14H,4-5,10,13H2,1H3,(H,23,25)
InChIKeyKQCIQDWABGMYLG-UHFFFAOYSA-N
XLogP3.08
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090390
N-(2-cyanophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107563
N-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090374
2-(3-methylpiperidine-1-carbonyl)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 109090445
N-(2,4-difluorophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090432
N-(4-acetylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090418
N-(5-chloro-2-methoxyphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090402
N-(2-cyanophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108501574
N-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109080013
N-(2-cyanophenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082943
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
2-N-(2-cyanophenyl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091043

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide (CID 109090441) is N-(2-cyanophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide is CC1CCCN(C(=O)c2cc(C(=O)Nc3ccccc3C#N)ccn2)C1.
What is the InChIKey of N-(2-cyanophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is KQCIQDWABGMYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-5-4-10-24(13-14)20(26)18-11-15(8-9-22-18)19(25)23-17-7-3-2-6-16(17)12-21/h2-3,6-9,11,14H,4-5,10,13H2,1H3,(H,23,25).
What are the key properties of N-(2-cyanophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
N-(2-cyanophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109090441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).