4-[cyclohexyl(pyridin-3-ylmethyl)carbamoyl]-1H-imidazole-5-carboxylic acid

C17H20N4O3 — CID 77095410

IUPAC4-[cyclohexyl(pyridin-3-ylmethyl)carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]cnc1C(=O)N(Cc1cccnc1)C1CCCCC1
InChIInChI=1S/C17H20N4O3/c22-16(14-15(17(23)24)20-11-19-14)21(13-6-2-1-3-7-13)10-12-5-4-8-18-9-12/h4-5,8-9,11,13H,1-3,6-7,10H2,(H,19,20)(H,23,24)
InChIKeySAJSFULIUBUODX-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.48
Rot. Bonds5

About 4-[cyclohexyl(pyridin-3-ylmethyl)carbamoyl]-1H-imidazole-5-carboxylic acid

4-[cyclohexyl(pyridin-3-ylmethyl)carbamoyl]-1H-imidazole-5-carboxylic acid (PubChem CID 77095410) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[cyclohexyl(pyridin-3-ylmethyl)carbamoyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[cyclohexyl(pyridin-3-ylmethyl)carbamoyl]-1H-imidazole-5-carboxylic acid
PubChem CID77095410
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name4-[cyclohexyl(pyridin-3-ylmethyl)carbamoyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]cnc1C(=O)N(Cc1cccnc1)C1CCCCC1
InChIInChI=1S/C17H20N4O3/c22-16(14-15(17(23)24)20-11-19-14)21(13-6-2-1-3-7-13)10-12-5-4-8-18-9-12/h4-5,8-9,11,13H,1-3,6-7,10H2,(H,19,20)(H,23,24)
InChIKeySAJSFULIUBUODX-UHFFFAOYSA-N
XLogP2.48
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid
CID 46993000
N-cyclohexyl-1,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 77082758
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
N-cyclohexyl-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 46969467
N-cyclohexyl-4-pyrazolidin-4-yl-N-(pyridin-3-ylmethyl)butanamide
CID 134127956
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
4-[(2-piperidin-1-yl-2-pyridin-3-ylethyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 74234117
2-tert-butyl-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 47076770
cyclohexyl 2-[4-[piperidin-4-yl(pyridin-3-ylmethyl)carbamoyl]phenoxy]acetate
CID 15380716
2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 91767645
N-cyclohexyl-2-methyl-4-oxo-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide
CID 118779766
N-cyclopropyl-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 75133203

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(pyridin-3-ylmethyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-[cyclohexyl(pyridin-3-ylmethyl)carbamoyl]-1H-imidazole-5-carboxylic acid (CID 77095410) is 4-[cyclohexyl(pyridin-3-ylmethyl)carbamoyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-[cyclohexyl(pyridin-3-ylmethyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-[cyclohexyl(pyridin-3-ylmethyl)carbamoyl]-1H-imidazole-5-carboxylic acid is O=C(O)c1[nH]cnc1C(=O)N(Cc1cccnc1)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(pyridin-3-ylmethyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is SAJSFULIUBUODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-16(14-15(17(23)24)20-11-19-14)21(13-6-2-1-3-7-13)10-12-5-4-8-18-9-12/h4-5,8-9,11,13H,1-3,6-7,10H2,(H,19,20)(H,23,24).
What are the key properties of 4-[cyclohexyl(pyridin-3-ylmethyl)carbamoyl]-1H-imidazole-5-carboxylic acid?
4-[cyclohexyl(pyridin-3-ylmethyl)carbamoyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(pyridin-3-ylmethyl)carbamoyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 77095410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).