6-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide

C21H21N7O — CID 91015195

IUPAC6-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
SMILESCC1=NC(C)=C(C#N)C(c2cccc(C(=O)NCCCn3ccnc3)n2)C1C#N
InChIInChI=1S/C21H21N7O/c1-14-16(11-22)20(17(12-23)15(2)26-14)18-5-3-6-19(27-18)21(29)25-7-4-9-28-10-8-24-13-28/h3,5-6,8,10,13,16,20H,4,7,9H2,1-2H3,(H,25,29)
InChIKeyOXUAXFSLMPMPFB-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.59
Rot. Bonds6

About 6-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide

6-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide (PubChem CID 91015195) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 6-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
PubChem CID91015195
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name6-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
SMILESCC1=NC(C)=C(C#N)C(c2cccc(C(=O)NCCCn3ccnc3)n2)C1C#N
InChIInChI=1S/C21H21N7O/c1-14-16(11-22)20(17(12-23)15(2)26-14)18-5-3-6-19(27-18)21(29)25-7-4-9-28-10-8-24-13-28/h3,5-6,8,10,13,16,20H,4,7,9H2,1-2H3,(H,25,29)
InChIKeyOXUAXFSLMPMPFB-UHFFFAOYSA-N
XLogP2.59
TPSA119.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 91613492
6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 113323370
6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62248208
6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62240015
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47447578
6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 103889552
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30403008
6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 115497664
N-(5-imidazol-1-ylpentyl)-3-methylbenzamide
CID 110441440
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866
2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 19155028

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide?
The IUPAC name of 6-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide (CID 91015195) is 6-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide is CC1=NC(C)=C(C#N)C(c2cccc(C(=O)NCCCn3ccnc3)n2)C1C#N.
What is the InChIKey of 6-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide?
The InChIKey is OXUAXFSLMPMPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-14-16(11-22)20(17(12-23)15(2)26-14)18-5-3-6-19(27-18)21(29)25-7-4-9-28-10-8-24-13-28/h3,5-6,8,10,13,16,20H,4,7,9H2,1-2H3,(H,25,29).
What are the key properties of 6-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide?
6-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide has a molecular weight of 387.45 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 91015195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).