2-[4-(5-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide

C18H20N6O — CID 163318701

IUPAC2-[4-(5-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1cc(N2CCN(c3ncccc3C(N)=O)CC2)nc(C)c1C#N
InChIInChI=1S/C18H20N6O/c1-12-10-16(22-13(2)15(12)11-19)23-6-8-24(9-7-23)18-14(17(20)25)4-3-5-21-18/h3-5,10H,6-9H2,1-2H3,(H2,20,25)
InChIKeyNJOYZZDXDORVAI-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.39
Rot. Bonds3

About 2-[4-(5-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide

2-[4-(5-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 163318701) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[4-(5-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(5-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID163318701
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name2-[4-(5-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1cc(N2CCN(c3ncccc3C(N)=O)CC2)nc(C)c1C#N
InChIInChI=1S/C18H20N6O/c1-12-10-16(22-13(2)15(12)11-19)23-6-8-24(9-7-23)18-14(17(20)25)4-3-5-21-18/h3-5,10H,6-9H2,1-2H3,(H2,20,25)
InChIKeyNJOYZZDXDORVAI-UHFFFAOYSA-N
XLogP1.39
TPSA99.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(5-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-benzoylpiperazin-1-yl)-2,4-dimethylpyridine-3-carbonitrile
CID 162637403
2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
CID 133360498
2-[4-(1-cyanopropyl)piperazin-1-yl]pyridine-3-carboxamide
CID 63343846
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
2-[4-(6-methylpyrido[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 154822358
6-[4-[hydroxy(pyridin-3-yl)methyl]piperidin-1-yl]-2,4-dimethylpyridine-3-carbonitrile
CID 162638514
6-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2,4-dimethylpyridine-3-carbonitrile
CID 164698975
2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 133442979
2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-1H-benzimidazole-4-carboxamide
CID 121385112
2-[4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride
CID 154903586
2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 133371880
2-[4-(8-chloro-2-methylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 131918713

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(5-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide (CID 163318701) is 2-[4-(5-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(5-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(5-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide is Cc1cc(N2CCN(c3ncccc3C(N)=O)CC2)nc(C)c1C#N.
What is the InChIKey of 2-[4-(5-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is NJOYZZDXDORVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-12-10-16(22-13(2)15(12)11-19)23-6-8-24(9-7-23)18-14(17(20)25)4-3-5-21-18/h3-5,10H,6-9H2,1-2H3,(H2,20,25).
What are the key properties of 2-[4-(5-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide?
2-[4-(5-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 163318701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).