N-(2-cyanophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide

C20H20N4O2 — CID 109107563

IUPACN-(2-cyanophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCC1CCCN(C(=O)c2cncc(C(=O)Nc3ccccc3C#N)c2)C1
InChIInChI=1S/C20H20N4O2/c1-14-5-4-8-24(13-14)20(26)17-9-16(11-22-12-17)19(25)23-18-7-3-2-6-15(18)10-21/h2-3,6-7,9,11-12,14H,4-5,8,13H2,1H3,(H,23,25)
InChIKeyCQPFCKXCSNEVCO-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.08
Rot. Bonds3

About N-(2-cyanophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide

N-(2-cyanophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109107563) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(2-cyanophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109107563
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(2-cyanophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCC1CCCN(C(=O)c2cncc(C(=O)Nc3ccccc3C#N)c2)C1
InChIInChI=1S/C20H20N4O2/c1-14-5-4-8-24(13-14)20(26)17-9-16(11-22-12-17)19(25)23-18-7-3-2-6-15(18)10-21/h2-3,6-7,9,11-12,14H,4-5,8,13H2,1H3,(H,23,25)
InChIKeyCQPFCKXCSNEVCO-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-cyanophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090441
5-(4-acetylpiperazine-1-carbonyl)-N-(2-cyanophenyl)pyridine-3-carboxamide
CID 109104825
ethyl 2-[[5-(3-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
CID 109107562
N-(2,4-difluorophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107554
N-(4-methylphenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107491
N-(2-cyanophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108501574
N-(3-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107515
5-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109105362
N-(2-cyanophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044383
N-(2-cyanophenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108980226
5-N-(2-chlorophenyl)-3-N-(2-cyanophenyl)pyridine-3,5-dicarboxamide
CID 109108776
2-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109225681

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide (CID 109107563) is N-(2-cyanophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide is CC1CCCN(C(=O)c2cncc(C(=O)Nc3ccccc3C#N)c2)C1.
What is the InChIKey of N-(2-cyanophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is CQPFCKXCSNEVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-5-4-8-24(13-14)20(26)17-9-16(11-22-12-17)19(25)23-18-7-3-2-6-15(18)10-21/h2-3,6-7,9,11-12,14H,4-5,8,13H2,1H3,(H,23,25).
What are the key properties of N-(2-cyanophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide?
N-(2-cyanophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-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)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109107563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).