N-[1-(aminomethyl)cyclopentyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride

C20H28Cl2N4O — CID 119568018

IUPACN-[1-(aminomethyl)cyclopentyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride
SMILESCl.Cl.NCC1(NC(=O)CN(Cc2cccnc2)c2ccccc2)CCCC1
InChIInChI=1S/C20H26N4O.2ClH/c21-16-20(10-4-5-11-20)23-19(25)15-24(18-8-2-1-3-9-18)14-17-7-6-12-22-13-17;;/h1-3,6-9,12-13H,4-5,10-11,14-16,21H2,(H,23,25);2*1H
InChIKeyMVHGDWYGTTZRAE-UHFFFAOYSA-N
MW411.38 g/mol
LogP3.32
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride

N-[1-(aminomethyl)cyclopentyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride (PubChem CID 119568018) has the molecular formula C20H28Cl2N4O and a molecular weight of 411.38 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride
PubChem CID119568018
Molecular FormulaC20H28Cl2N4O
Molecular Weight411.38 g/mol
Exact Mass410.16
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride
SMILESCl.Cl.NCC1(NC(=O)CN(Cc2cccnc2)c2ccccc2)CCCC1
InChIInChI=1S/C20H26N4O.2ClH/c21-16-20(10-4-5-11-20)23-19(25)15-24(18-8-2-1-3-9-18)14-17-7-6-12-22-13-17;;/h1-3,6-9,12-13H,4-5,10-11,14-16,21H2,(H,23,25);2*1H
InChIKeyMVHGDWYGTTZRAE-UHFFFAOYSA-N
XLogP3.32
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide
CID 111427174
N-[3-(methylamino)propyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride
CID 119433679
N-(1-aminopropan-2-yl)-N-methyl-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride
CID 119584746
1-[2-(aminomethyl)piperidin-1-yl]-2-[N-(pyridin-3-ylmethyl)anilino]ethanone;dihydrochloride
CID 119469325
2-[N-(pyridin-3-ylmethyl)anilino]-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119537580
N-[1-(aminomethyl)cyclopentyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119566846
1-(1,4-diazepan-1-yl)-2-[N-(pyridin-3-ylmethyl)anilino]ethanone
CID 119418185
N-[1-(aminomethyl)cyclopentyl]-4-phenylbutanamide
CID 63754522
N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylphenyl)acetamide
CID 119564798
N-[1-(aminomethyl)cyclopentyl]-2-pyrazol-1-ylacetamide;dihydrochloride
CID 119567226
1-(3-methylpyrrolidin-1-yl)-2-[N-(pyridin-3-ylmethyl)anilino]ethanone
CID 86971794
(2R,3R)-2-methyl-1-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]piperidine-3-carboxylic acid
CID 122116407

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride (CID 119568018) is N-[1-(aminomethyl)cyclopentyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride is Cl.Cl.NCC1(NC(=O)CN(Cc2cccnc2)c2ccccc2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride?
The InChIKey is MVHGDWYGTTZRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O.2ClH/c21-16-20(10-4-5-11-20)23-19(25)15-24(18-8-2-1-3-9-18)14-17-7-6-12-22-13-17;;/h1-3,6-9,12-13H,4-5,10-11,14-16,21H2,(H,23,25);2*1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride?
N-[1-(aminomethyl)cyclopentyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride has a molecular weight of 411.38 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride is sourced from PubChem (CID 119568018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).