N-cyclohexyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide

C20H24N6O2 — CID 53178836

IUPACN-cyclohexyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCCc1noc(-c2ccc(-n3cnc(C(=O)NC4CCCCC4)c3)nc2)n1
InChIInChI=1S/C20H24N6O2/c1-2-6-17-24-20(28-25-17)14-9-10-18(21-11-14)26-12-16(22-13-26)19(27)23-15-7-4-3-5-8-15/h9-13,15H,2-8H2,1H3,(H,23,27)
InChIKeyMBAMOLKDUMFOFR-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.33
Rot. Bonds6

About N-cyclohexyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide

N-cyclohexyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 53178836) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-cyclohexyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
PubChem CID53178836
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC NameN-cyclohexyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCCc1noc(-c2ccc(-n3cnc(C(=O)NC4CCCCC4)c3)nc2)n1
InChIInChI=1S/C20H24N6O2/c1-2-6-17-24-20(28-25-17)14-9-10-18(21-11-14)26-12-16(22-13-26)19(27)23-15-7-4-3-5-8-15/h9-13,15H,2-8H2,1H3,(H,23,27)
InChIKeyMBAMOLKDUMFOFR-UHFFFAOYSA-N
XLogP3.33
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (CID 53178836) is N-cyclohexyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is CCCc1noc(-c2ccc(-n3cnc(C(=O)NC4CCCCC4)c3)nc2)n1.
What is the InChIKey of N-cyclohexyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is MBAMOLKDUMFOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-2-6-17-24-20(28-25-17)14-9-10-18(21-11-14)26-12-16(22-13-26)19(27)23-15-7-4-3-5-8-15/h9-13,15H,2-8H2,1H3,(H,23,27).
What are the key properties of N-cyclohexyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
N-cyclohexyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 53178836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).