N-cyclohexyl-1-[2-[(1-ethyl-2-methylbenzimidazol-5-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide

C24H29N5O3 — CID 92635811

IUPACN-cyclohexyl-1-[2-[(1-ethyl-2-methylbenzimidazol-5-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
SMILESCCn1c(C)nc2cc(NC(=O)Cn3cc(C(=O)NC4CCCCC4)ccc3=O)ccc21
InChIInChI=1S/C24H29N5O3/c1-3-29-16(2)25-20-13-19(10-11-21(20)29)26-22(30)15-28-14-17(9-12-23(28)31)24(32)27-18-7-5-4-6-8-18/h9-14,18H,3-8,15H2,1-2H3,(H,26,30)(H,27,32)
InChIKeyFRINRCOBXFVJSU-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.23
Rot. Bonds6

About N-cyclohexyl-1-[2-[(1-ethyl-2-methylbenzimidazol-5-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide

N-cyclohexyl-1-[2-[(1-ethyl-2-methylbenzimidazol-5-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide (PubChem CID 92635811) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-cyclohexyl-1-[2-[(1-ethyl-2-methylbenzimidazol-5-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[2-[(1-ethyl-2-methylbenzimidazol-5-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
PubChem CID92635811
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-cyclohexyl-1-[2-[(1-ethyl-2-methylbenzimidazol-5-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
SMILESCCn1c(C)nc2cc(NC(=O)Cn3cc(C(=O)NC4CCCCC4)ccc3=O)ccc21
InChIInChI=1S/C24H29N5O3/c1-3-29-16(2)25-20-13-19(10-11-21(20)29)26-22(30)15-28-14-17(9-12-23(28)31)24(32)27-18-7-5-4-6-8-18/h9-14,18H,3-8,15H2,1-2H3,(H,26,30)(H,27,32)
InChIKeyFRINRCOBXFVJSU-UHFFFAOYSA-N
XLogP3.23
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(cyclopentylamino)-2-oxoethyl]-N-(1-ethyl-2-methylbenzimidazol-5-yl)-6-oxopyridine-3-carboxamide
CID 92635587
N-(1-ethyl-2-methylbenzimidazol-5-yl)-2-pyrazol-1-ylacetamide
CID 46981380
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609506
1-[2-(cyclopentylcarbamoylamino)ethyl]-2-methylbenzimidazole-5-carboxylic acid
CID 50742509
1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 92634610
1-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]-N-cyclopentyl-6-oxopyridine-3-carboxamide
CID 92632216
ethyl 1-[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 54840863
1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide
CID 92635651
1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 92635565
1-(3-acetylphenyl)-3-(1-ethyl-2-methylbenzimidazol-5-yl)urea
CID 9267921
cyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone
CID 82494804

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[2-[(1-ethyl-2-methylbenzimidazol-5-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-[2-[(1-ethyl-2-methylbenzimidazol-5-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide (CID 92635811) is N-cyclohexyl-1-[2-[(1-ethyl-2-methylbenzimidazol-5-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[2-[(1-ethyl-2-methylbenzimidazol-5-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[2-[(1-ethyl-2-methylbenzimidazol-5-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide is CCn1c(C)nc2cc(NC(=O)Cn3cc(C(=O)NC4CCCCC4)ccc3=O)ccc21.
What is the InChIKey of N-cyclohexyl-1-[2-[(1-ethyl-2-methylbenzimidazol-5-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
The InChIKey is FRINRCOBXFVJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-3-29-16(2)25-20-13-19(10-11-21(20)29)26-22(30)15-28-14-17(9-12-23(28)31)24(32)27-18-7-5-4-6-8-18/h9-14,18H,3-8,15H2,1-2H3,(H,26,30)(H,27,32).
What are the key properties of N-cyclohexyl-1-[2-[(1-ethyl-2-methylbenzimidazol-5-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?
N-cyclohexyl-1-[2-[(1-ethyl-2-methylbenzimidazol-5-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[2-[(1-ethyl-2-methylbenzimidazol-5-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 92635811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).