N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide

C19H22N4O2 — CID 51085606

IUPACN-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
SMILESO=C(NCc1cccnc1)Nc1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H22N4O2/c24-18(22-16-5-1-2-6-16)15-7-9-17(10-8-15)23-19(25)21-13-14-4-3-11-20-12-14/h3-4,7-12,16H,1-2,5-6,13H2,(H,22,24)(H2,21,23,25)
InChIKeyLGFPCWOHKLHUTH-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.08
Rot. Bonds5

About N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide

N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide (PubChem CID 51085606) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
PubChem CID51085606
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
SMILESO=C(NCc1cccnc1)Nc1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C19H22N4O2/c24-18(22-16-5-1-2-6-16)15-7-9-17(10-8-15)23-19(25)21-13-14-4-3-11-20-12-14/h3-4,7-12,16H,1-2,5-6,13H2,(H,22,24)(H2,21,23,25)
InChIKeyLGFPCWOHKLHUTH-UHFFFAOYSA-N
XLogP3.08
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide 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-cyclopentyl-3-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylbenzamide
CID 56929064
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574
N-cyclopentyl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 1428458
N-cyclopentyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoylamino]benzamide
CID 55836456
1-[4-[[(1S,3S)-3-hydroxycyclohexyl]sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 71654930
1-(4-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125675
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
N'-[4-(cyclohexylcarbamoyl)phenyl]-N-(pyridin-4-ylmethyl)oxamide
CID 47634027
1-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 4565553
N,N-diethyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 52541173
N-[4-(pyridin-3-ylmethylcarbamoylamino)anilino]formamide
CID 91704077
1-[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610981

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide?
The IUPAC name of N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide (CID 51085606) is N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide.
What is the SMILES notation for N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide?
The canonical SMILES for N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide is O=C(NCc1cccnc1)Nc1ccc(C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide?
The InChIKey is LGFPCWOHKLHUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18(22-16-5-1-2-6-16)15-7-9-17(10-8-15)23-19(25)21-13-14-4-3-11-20-12-14/h3-4,7-12,16H,1-2,5-6,13H2,(H,22,24)(H2,21,23,25).
What are the key properties of N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide?
N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide has a molecular weight of 338.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide is sourced from PubChem (CID 51085606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).