N-(4-tert-butylphenyl)-N-[1-(2-cyano-3-pyridinyl)-2-(cyclohexylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide

C28H32N6O2 — CID 156892705

IUPACN-(4-tert-butylphenyl)-N-[1-(2-cyano-3-pyridinyl)-2-(cyclohexylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide
SMILESCC(C)(C)c1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NC2CCCCC2)c2cccnc2C#N)cc1
InChIInChI=1S/C28H32N6O2/c1-28(2,3)19-11-13-21(14-12-19)34(27(36)24-17-30-18-32-24)25(22-10-7-15-31-23(22)16-29)26(35)33-20-8-5-4-6-9-20/h7,10-15,17-18,20,25H,4-6,8-9H2,1-3H3,(H,30,32)(H,33,35)
InChIKeyLKFJBMXMLABPKW-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.81
Rot. Bonds6

About N-(4-tert-butylphenyl)-N-[1-(2-cyano-3-pyridinyl)-2-(cyclohexylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide

N-(4-tert-butylphenyl)-N-[1-(2-cyano-3-pyridinyl)-2-(cyclohexylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide (PubChem CID 156892705) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[1-(2-cyano-3-pyridinyl)-2-(cyclohexylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[1-(2-cyano-3-pyridinyl)-2-(cyclohexylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide
PubChem CID156892705
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC NameN-(4-tert-butylphenyl)-N-[1-(2-cyano-3-pyridinyl)-2-(cyclohexylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide
SMILESCC(C)(C)c1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NC2CCCCC2)c2cccnc2C#N)cc1
InChIInChI=1S/C28H32N6O2/c1-28(2,3)19-11-13-21(14-12-19)34(27(36)24-17-30-18-32-24)25(22-10-7-15-31-23(22)16-29)26(35)33-20-8-5-4-6-9-20/h7,10-15,17-18,20,25H,4-6,8-9H2,1-3H3,(H,30,32)(H,33,35)
InChIKeyLKFJBMXMLABPKW-UHFFFAOYSA-N
XLogP4.81
TPSA114.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-tert-butylphenyl)-N-[1-(2-cyano-3-pyridinyl)-2-(cyclohexylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide;N-(4-tert-butylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
CID 157344591
N-(4-tert-butylphenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
CID 156907379
N-(6-tert-butyl-2-cyano-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
CID 166040824
tert-butyl 4-[[2-[4-tert-butyl-N-(1H-imidazole-5-carbonyl)anilino]-2-pyridin-3-ylacetyl]amino]piperidine-1-carboxylate
CID 168806756
N-(2-cyano-6-cyclopropyl-3-pyridinyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
CID 166040785
2-(4-tert-butyl-N-(4-cyanopyrimidin-5-yl)anilino)-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 156894432
N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide
CID 166332793
N-(4-tert-butylphenyl)-N-[2-[[(1S,3R)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
CID 168806754
N-(4-tert-butylphenyl)-N-[2-[[(1S,3S)-3-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
CID 168806827
N-(4-tert-butylphenyl)-N-[2-oxo-2-[[1-[oxolan-2-yl(phenyl)methyl]piperidin-3-yl]amino]-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
CID 168806860
N-(4-tert-butylphenyl)-1-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-3-hydroxyazetidine-2-carboxamide
CID 156893524
N-(4-tert-butylphenyl)-4-cyano-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 166040170

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[1-(2-cyano-3-pyridinyl)-2-(cyclohexylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-N-[1-(2-cyano-3-pyridinyl)-2-(cyclohexylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide (CID 156892705) is N-(4-tert-butylphenyl)-N-[1-(2-cyano-3-pyridinyl)-2-(cyclohexylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[1-(2-cyano-3-pyridinyl)-2-(cyclohexylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[1-(2-cyano-3-pyridinyl)-2-(cyclohexylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide is CC(C)(C)c1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NC2CCCCC2)c2cccnc2C#N)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[1-(2-cyano-3-pyridinyl)-2-(cyclohexylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide?
The InChIKey is LKFJBMXMLABPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-28(2,3)19-11-13-21(14-12-19)34(27(36)24-17-30-18-32-24)25(22-10-7-15-31-23(22)16-29)26(35)33-20-8-5-4-6-9-20/h7,10-15,17-18,20,25H,4-6,8-9H2,1-3H3,(H,30,32)(H,33,35).
What are the key properties of N-(4-tert-butylphenyl)-N-[1-(2-cyano-3-pyridinyl)-2-(cyclohexylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide?
N-(4-tert-butylphenyl)-N-[1-(2-cyano-3-pyridinyl)-2-(cyclohexylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-[1-(2-cyano-3-pyridinyl)-2-(cyclohexylamino)-2-oxoethyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 156892705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).