N-(6-tert-butyl-2-cyano-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide

C27H31N7O2 — CID 166040824

About N-(6-tert-butyl-2-cyano-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide

N-(6-tert-butyl-2-cyano-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide (PubChem CID 166040824) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-(6-tert-butyl-2-cyano-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(6-tert-butyl-2-cyano-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
• PubChem CID: 166040824
• Molecular Formula: C27H31N7O2
• Molecular Weight: 485.59 g/mol
• Exact Mass: 485.25
• IUPAC Name: N-(6-tert-butyl-2-cyano-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
• SMILES: CC(C)(C)c1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NC2CCCCC2)c2cccnc2)c(C#N)n1
• InChI: InChI=1S/C27H31N7O2/c1-27(2,3)23-12-11-22(20(14-28)33-23)34(26(36)21-16-30-17-31-21)24(18-8-7-13-29-15-18)25(35)32-19-9-5-4-6-10-19/h7-8,11-13,15-17,19,24H,4-6,9-10H2,1-3H3,(H,30,31)(H,32,35)
• InChIKey: MNSCLICZQZWXBZ-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 127.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.59
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-tert-butyl-2-cyano-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide?

The IUPAC name of N-(6-tert-butyl-2-cyano-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide (CID 166040824) is N-(6-tert-butyl-2-cyano-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide.

What is the SMILES notation for N-(6-tert-butyl-2-cyano-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide?

The canonical SMILES for N-(6-tert-butyl-2-cyano-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide is CC(C)(C)c1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NC2CCCCC2)c2cccnc2)c(C#N)n1.

What is the InChIKey of N-(6-tert-butyl-2-cyano-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide?

The InChIKey is MNSCLICZQZWXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-27(2,3)23-12-11-22(20(14-28)33-23)34(26(36)21-16-30-17-31-21)24(18-8-7-13-29-15-18)25(35)32-19-9-5-4-6-10-19/h7-8,11-13,15-17,19,24H,4-6,9-10H2,1-3H3,(H,30,31)(H,32,35).

What are the key properties of N-(6-tert-butyl-2-cyano-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide?

N-(6-tert-butyl-2-cyano-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-tert-butyl-2-cyano-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 166040824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).