4-(3-cyano-2-pyridinyl)-N-(6,7-dimethyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide

C20H21N7O — CID 118788052

IUPAC4-(3-cyano-2-pyridinyl)-N-(6,7-dimethyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide
SMILESCc1c(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc2[nH]cnc2c1C
InChIInChI=1S/C20H21N7O/c1-13-14(2)18-17(23-12-24-18)10-16(13)25-20(28)27-8-6-26(7-9-27)19-15(11-21)4-3-5-22-19/h3-5,10,12H,6-9H2,1-2H3,(H,23,24)(H,25,28)
InChIKeyOJLXRXYWBBSEFF-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.80
Rot. Bonds2

About 4-(3-cyano-2-pyridinyl)-N-(6,7-dimethyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide

4-(3-cyano-2-pyridinyl)-N-(6,7-dimethyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide (PubChem CID 118788052) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 4-(3-cyano-2-pyridinyl)-N-(6,7-dimethyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-cyano-2-pyridinyl)-N-(6,7-dimethyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide
PubChem CID118788052
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name4-(3-cyano-2-pyridinyl)-N-(6,7-dimethyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide
SMILESCc1c(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc2[nH]cnc2c1C
InChIInChI=1S/C20H21N7O/c1-13-14(2)18-17(23-12-24-18)10-16(13)25-20(28)27-8-6-26(7-9-27)19-15(11-21)4-3-5-22-19/h3-5,10,12H,6-9H2,1-2H3,(H,23,24)(H,25,28)
InChIKeyOJLXRXYWBBSEFF-UHFFFAOYSA-N
XLogP2.80
TPSA100.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3-cyano-2-pyridinyl)-N-(6,7-dimethyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide with MolForge

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812129
2-[4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 70707308
2-[4-(6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171327180
2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812131
2-[4-(3-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 58989779
2-[4-(2,3-dimethyl-1H-indole-7-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 78852290
2-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]benzoic acid
CID 2812107
2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 11741241
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 10337040
2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 110397273
2-[4-(2,8-dimethylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 70730012
phenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate
CID 51278531

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-2-pyridinyl)-N-(6,7-dimethyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-cyano-2-pyridinyl)-N-(6,7-dimethyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide (CID 118788052) is 4-(3-cyano-2-pyridinyl)-N-(6,7-dimethyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-cyano-2-pyridinyl)-N-(6,7-dimethyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-cyano-2-pyridinyl)-N-(6,7-dimethyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide is Cc1c(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc2[nH]cnc2c1C.
What is the InChIKey of 4-(3-cyano-2-pyridinyl)-N-(6,7-dimethyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide?
The InChIKey is OJLXRXYWBBSEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-13-14(2)18-17(23-12-24-18)10-16(13)25-20(28)27-8-6-26(7-9-27)19-15(11-21)4-3-5-22-19/h3-5,10,12H,6-9H2,1-2H3,(H,23,24)(H,25,28).
What are the key properties of 4-(3-cyano-2-pyridinyl)-N-(6,7-dimethyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide?
4-(3-cyano-2-pyridinyl)-N-(6,7-dimethyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-2-pyridinyl)-N-(6,7-dimethyl-3H-benzimidazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 118788052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).