5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide

C26H37N7O — CID 71164508

IUPAC5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCN1CCN(C(C)(C)c2ccc(NC(=O)C3=NCC(C#N)N3)c(C3=CCC(C)(C)CC3)n2)CC1
InChIInChI=1S/C26H37N7O/c1-25(2)10-8-18(9-11-25)22-20(30-24(34)23-28-17-19(16-27)29-23)6-7-21(31-22)26(3,4)33-14-12-32(5)13-15-33/h6-8,19H,9-15,17H2,1-5H3,(H,28,29)(H,30,34)
InChIKeyJKTCRRVLMFIMJB-UHFFFAOYSA-N
MW463.63 g/mol
LogP2.99
Rot. Bonds5

About 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide

5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 71164508) has the molecular formula C26H37N7O and a molecular weight of 463.63 g/mol. Its IUPAC name is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID71164508
Molecular FormulaC26H37N7O
Molecular Weight463.63 g/mol
Exact Mass463.31
IUPAC Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCN1CCN(C(C)(C)c2ccc(NC(=O)C3=NCC(C#N)N3)c(C3=CCC(C)(C)CC3)n2)CC1
InChIInChI=1S/C26H37N7O/c1-25(2)10-8-18(9-11-25)22-20(30-24(34)23-28-17-19(16-27)29-23)6-7-21(31-22)26(3,4)33-14-12-32(5)13-15-33/h6-8,19H,9-15,17H2,1-5H3,(H,28,29)(H,30,34)
InChIKeyJKTCRRVLMFIMJB-UHFFFAOYSA-N
XLogP2.99
TPSA96.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide (CID 71164508) is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide is CN1CCN(C(C)(C)c2ccc(NC(=O)C3=NCC(C#N)N3)c(C3=CCC(C)(C)CC3)n2)CC1.
What is the InChIKey of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is JKTCRRVLMFIMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O/c1-25(2)10-8-18(9-11-25)22-20(30-24(34)23-28-17-19(16-27)29-23)6-7-21(31-22)26(3,4)33-14-12-32(5)13-15-33/h6-8,19H,9-15,17H2,1-5H3,(H,28,29)(H,30,34).
What are the key properties of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 463.63 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 71164508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).