N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(pyridin-3-ylmethyl)acetamide

C17H26N4O2 — CID 113055342

IUPACN-[2-(cyclohexylcarbamoylamino)ethyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(=O)N(CCNC(=O)NC1CCCCC1)Cc1cccnc1
InChIInChI=1S/C17H26N4O2/c1-14(22)21(13-15-6-5-9-18-12-15)11-10-19-17(23)20-16-7-3-2-4-8-16/h5-6,9,12,16H,2-4,7-8,10-11,13H2,1H3,(H2,19,20,23)
InChIKeyALNHQFVMXNQBBU-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.06
Rot. Bonds6

About N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(pyridin-3-ylmethyl)acetamide

N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 113055342) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylcarbamoylamino)ethyl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID113055342
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[2-(cyclohexylcarbamoylamino)ethyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(=O)N(CCNC(=O)NC1CCCCC1)Cc1cccnc1
InChIInChI=1S/C17H26N4O2/c1-14(22)21(13-15-6-5-9-18-12-15)11-10-19-17(23)20-16-7-3-2-4-8-16/h5-6,9,12,16H,2-4,7-8,10-11,13H2,1H3,(H2,19,20,23)
InChIKeyALNHQFVMXNQBBU-UHFFFAOYSA-N
XLogP2.06
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(pyridin-3-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide
CID 113054788
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-phenylacetamide
CID 113057217
3-[acetyl(pyridin-3-ylmethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113120356
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113055684
1-benzyl-3-cyclooctyl-1-(pyridin-3-ylmethyl)thiourea
CID 17065496
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
1-(2-cyanoethyl)-3-cyclohexyl-1-(pyridin-3-ylmethyl)thiourea
CID 3968740
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(3-bromophenyl)acetamide
CID 113055347
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-3,4-dichlorobenzamide
CID 113055305
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113055335
(2S)-2-(cyclohexylcarbamoylamino)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110348870
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-methoxybenzamide
CID 113055301

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(pyridin-3-ylmethyl)acetamide (CID 113055342) is N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(pyridin-3-ylmethyl)acetamide is CC(=O)N(CCNC(=O)NC1CCCCC1)Cc1cccnc1.
What is the InChIKey of N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is ALNHQFVMXNQBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-14(22)21(13-15-6-5-9-18-12-15)11-10-19-17(23)20-16-7-3-2-4-8-16/h5-6,9,12,16H,2-4,7-8,10-11,13H2,1H3,(H2,19,20,23).
What are the key properties of N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(pyridin-3-ylmethyl)acetamide?
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 113055342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).