4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide

C19H22N4O2 — CID 119864752

IUPAC4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide
SMILESNC1(C(=O)NCc2ccc(C(=O)Nc3ccncc3)cc2)CCCC1
InChIInChI=1S/C19H22N4O2/c20-19(9-1-2-10-19)18(25)22-13-14-3-5-15(6-4-14)17(24)23-16-7-11-21-12-8-16/h3-8,11-12H,1-2,9-10,13,20H2,(H,22,25)(H,21,23,24)
InChIKeyXGWFCGFRLVACBA-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.22
Rot. Bonds5

About 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide

4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide (PubChem CID 119864752) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide
PubChem CID119864752
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide
SMILESNC1(C(=O)NCc2ccc(C(=O)Nc3ccncc3)cc2)CCCC1
InChIInChI=1S/C19H22N4O2/c20-19(9-1-2-10-19)18(25)22-13-14-3-5-15(6-4-14)17(24)23-16-7-11-21-12-8-16/h3-8,11-12H,1-2,9-10,13,20H2,(H,22,25)(H,21,23,24)
InChIKeyXGWFCGFRLVACBA-UHFFFAOYSA-N
XLogP2.22
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide 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

1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride
CID 119827128
cobalt;N-pyridin-4-yl-4-[[[4-(pyridin-4-ylcarbamoyl)phenyl]methylamino]methyl]benzamide
CID 59994750
4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
CID 119283610
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119277261
4-[(1-aminocyclopentanecarbonyl)amino]-N-pyridin-3-ylbenzamide
CID 119844785
1-amino-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119874624
4-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119864763
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135223119
4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-butylbenzamide;hydrochloride
CID 119295324
2,2-difluoro-N-[[4-(pyridin-4-ylcarbamoyl)phenyl]methyl]spiro[2.5]octane-7-carboxamide
CID 166292398

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide (CID 119864752) is 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide is NC1(C(=O)NCc2ccc(C(=O)Nc3ccncc3)cc2)CCCC1.
What is the InChIKey of 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide?
The InChIKey is XGWFCGFRLVACBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c20-19(9-1-2-10-19)18(25)22-13-14-3-5-15(6-4-14)17(24)23-16-7-11-21-12-8-16/h3-8,11-12H,1-2,9-10,13,20H2,(H,22,25)(H,21,23,24).
What are the key properties of 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide?
4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide has a molecular weight of 338.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 119864752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).