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

C20H20N4O2 — CID 109081935

IUPACN-(3-cyanophenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCC1CCN(C(=O)c2cc(C(=O)Nc3cccc(C#N)c3)ccn2)CC1
InChIInChI=1S/C20H20N4O2/c1-14-6-9-24(10-7-14)20(26)18-12-16(5-8-22-18)19(25)23-17-4-2-3-15(11-17)13-21/h2-5,8,11-12,14H,6-7,9-10H2,1H3,(H,23,25)
InChIKeyVZKQLORUXWIFJE-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.08
Rot. Bonds3

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

N-(3-cyanophenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109081935) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109081935
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(3-cyanophenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCC1CCN(C(=O)c2cc(C(=O)Nc3cccc(C#N)c3)ccn2)CC1
InChIInChI=1S/C20H20N4O2/c1-14-6-9-24(10-7-14)20(26)18-12-16(5-8-22-18)19(25)23-17-4-2-3-15(11-17)13-21/h2-5,8,11-12,14H,6-7,9-10H2,1H3,(H,23,25)
InChIKeyVZKQLORUXWIFJE-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-(3-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090269
N-(2,6-dichlorophenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081931
N-(4-methoxyphenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081898
4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109093227
N-(3-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081751
N-(3-chloro-2-methylphenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081888
2-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092850
N-(3-cyanophenyl)-3-(4-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109068818
N-cyclopentyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109080690
2-N-(3-chloro-2-methylphenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092910
N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide
CID 109090775
N-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218300

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide (CID 109081935) is N-(3-cyanophenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide is CC1CCN(C(=O)c2cc(C(=O)Nc3cccc(C#N)c3)ccn2)CC1.
What is the InChIKey of N-(3-cyanophenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is VZKQLORUXWIFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-6-9-24(10-7-14)20(26)18-12-16(5-8-22-18)19(25)23-17-4-2-3-15(11-17)13-21/h2-5,8,11-12,14H,6-7,9-10H2,1H3,(H,23,25).
What are the key properties of N-(3-cyanophenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
N-(3-cyanophenyl)-2-(4-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-(3-cyanophenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109081935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).