1-methyl-N-[4-(2-pyridin-4-ylethylcarbamoyl)cyclohexyl]imidazole-2-carboxamide

C19H25N5O2 — CID 169420316

IUPAC1-methyl-N-[4-(2-pyridin-4-ylethylcarbamoyl)cyclohexyl]imidazole-2-carboxamide
SMILESCn1ccnc1C(=O)NC1CCC(C(=O)NCCc2ccncc2)CC1
InChIInChI=1S/C19H25N5O2/c1-24-13-12-21-17(24)19(26)23-16-4-2-15(3-5-16)18(25)22-11-8-14-6-9-20-10-7-14/h6-7,9-10,12-13,15-16H,2-5,8,11H2,1H3,(H,22,25)(H,23,26)
InChIKeyAFUOPRSGYOXLEM-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.46
Rot. Bonds6

About 1-methyl-N-[4-(2-pyridin-4-ylethylcarbamoyl)cyclohexyl]imidazole-2-carboxamide

1-methyl-N-[4-(2-pyridin-4-ylethylcarbamoyl)cyclohexyl]imidazole-2-carboxamide (PubChem CID 169420316) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-methyl-N-[4-(2-pyridin-4-ylethylcarbamoyl)cyclohexyl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(2-pyridin-4-ylethylcarbamoyl)cyclohexyl]imidazole-2-carboxamide
PubChem CID169420316
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-methyl-N-[4-(2-pyridin-4-ylethylcarbamoyl)cyclohexyl]imidazole-2-carboxamide
SMILESCn1ccnc1C(=O)NC1CCC(C(=O)NCCc2ccncc2)CC1
InChIInChI=1S/C19H25N5O2/c1-24-13-12-21-17(24)19(26)23-16-4-2-15(3-5-16)18(25)22-11-8-14-6-9-20-10-7-14/h6-7,9-10,12-13,15-16H,2-5,8,11H2,1H3,(H,22,25)(H,23,26)
InChIKeyAFUOPRSGYOXLEM-UHFFFAOYSA-N
XLogP1.46
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-1-methylimidazole-2-carboxamide
CID 78994269
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CID 169414482
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
CID 91834859
4-tert-butyl-4-methyl-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide
CID 130233505
N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-1-methylimidazole-2-carboxamide
CID 75401467
4-N-cyclohexyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146108
2-methyl-N-(2-pyridin-4-ylethyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-4-carboxamide
CID 131649352
N-[[4-[2-(4-hydroxyphenyl)ethylcarbamoyl]cyclohexyl]methyl]pyridine-4-carboxamide
CID 139634561
N-[2-(cyclopentanecarbonylamino)ethyl]-1-methyl-4-[3-[(1-methylimidazole-2-carbonyl)amino]propanoylamino]imidazole-2-carboxamide
CID 58089871
4-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethyl]benzoic acid
CID 119168864
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 71807800
N-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115621333

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(2-pyridin-4-ylethylcarbamoyl)cyclohexyl]imidazole-2-carboxamide?
The IUPAC name of 1-methyl-N-[4-(2-pyridin-4-ylethylcarbamoyl)cyclohexyl]imidazole-2-carboxamide (CID 169420316) is 1-methyl-N-[4-(2-pyridin-4-ylethylcarbamoyl)cyclohexyl]imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(2-pyridin-4-ylethylcarbamoyl)cyclohexyl]imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(2-pyridin-4-ylethylcarbamoyl)cyclohexyl]imidazole-2-carboxamide is Cn1ccnc1C(=O)NC1CCC(C(=O)NCCc2ccncc2)CC1.
What is the InChIKey of 1-methyl-N-[4-(2-pyridin-4-ylethylcarbamoyl)cyclohexyl]imidazole-2-carboxamide?
The InChIKey is AFUOPRSGYOXLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-24-13-12-21-17(24)19(26)23-16-4-2-15(3-5-16)18(25)22-11-8-14-6-9-20-10-7-14/h6-7,9-10,12-13,15-16H,2-5,8,11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 1-methyl-N-[4-(2-pyridin-4-ylethylcarbamoyl)cyclohexyl]imidazole-2-carboxamide?
1-methyl-N-[4-(2-pyridin-4-ylethylcarbamoyl)cyclohexyl]imidazole-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(2-pyridin-4-ylethylcarbamoyl)cyclohexyl]imidazole-2-carboxamide is sourced from PubChem (CID 169420316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).