3-amino-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]cyclopentane-1-carboxamide;dihydrochloride

C19H25Cl2N5O2 — CID 119874592

IUPAC3-amino-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)C1
InChIInChI=1S/C19H23N5O2.2ClH/c20-15-5-4-14(10-15)18(25)23-16-2-1-3-17(11-16)24-19(26)22-12-13-6-8-21-9-7-13;;/h1-3,6-9,11,14-15H,4-5,10,12,20H2,(H,23,25)(H2,22,24,26);2*1H
InChIKeyRGIJSQSBDPYFST-UHFFFAOYSA-N
MW426.35 g/mol
LogP3.31
Rot. Bonds5

About 3-amino-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]cyclopentane-1-carboxamide;dihydrochloride

3-amino-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119874592) has the molecular formula C19H25Cl2N5O2 and a molecular weight of 426.35 g/mol. Its IUPAC name is 3-amino-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119874592
Molecular FormulaC19H25Cl2N5O2
Molecular Weight426.35 g/mol
Exact Mass425.14
IUPAC Name3-amino-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)C1
InChIInChI=1S/C19H23N5O2.2ClH/c20-15-5-4-14(10-15)18(25)23-16-2-1-3-17(11-16)24-19(26)22-12-13-6-8-21-9-7-13;;/h1-3,6-9,11,14-15H,4-5,10,12,20H2,(H,23,25)(H2,22,24,26);2*1H
InChIKeyRGIJSQSBDPYFST-UHFFFAOYSA-N
XLogP3.31
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]cyclopentane-1-carboxamide;dihydrochloride 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

cis-(1S,3R)-3-amino-N-(3-phenylphenyl)cyclopentane-1-carboxamide
CID 56906171
2-amino-2-(oxan-4-yl)-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]acetamide;dihydrochloride
CID 120799757
1-amino-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119874624
2-methyl-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]cyclopropane-1-carboxamide
CID 56823788
3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide
CID 119846154
3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119685392
3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide
CID 106911930
3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride
CID 119719918
3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide
CID 119685393
(2R)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119874536
N-[4-[[(3-aminocyclopentanecarbonyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119870450
3-amino-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 66030290

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119874592) is 3-amino-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]cyclopentane-1-carboxamide;dihydrochloride is Cl.Cl.NC1CCC(C(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)C1.
What is the InChIKey of 3-amino-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is RGIJSQSBDPYFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2.2ClH/c20-15-5-4-14(10-15)18(25)23-16-2-1-3-17(11-16)24-19(26)22-12-13-6-8-21-9-7-13;;/h1-3,6-9,11,14-15H,4-5,10,12,20H2,(H,23,25)(H2,22,24,26);2*1H.
What are the key properties of 3-amino-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
3-amino-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 426.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119874592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).