N-[3-(methylamino)propyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride

C18H26Cl2N4O — CID 119433679

IUPACN-[3-(methylamino)propyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride
SMILESCNCCCNC(=O)CN(Cc1cccnc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H24N4O.2ClH/c1-19-10-6-12-21-18(23)15-22(17-8-3-2-4-9-17)14-16-7-5-11-20-13-16;;/h2-5,7-9,11,13,19H,6,10,12,14-15H2,1H3,(H,21,23);2*1H
InChIKeyYKZUIHPKGOFMSQ-UHFFFAOYSA-N
MW385.34 g/mol
LogP2.66
Rot. Bonds9

About N-[3-(methylamino)propyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride

N-[3-(methylamino)propyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride (PubChem CID 119433679) has the molecular formula C18H26Cl2N4O and a molecular weight of 385.34 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride
PubChem CID119433679
Molecular FormulaC18H26Cl2N4O
Molecular Weight385.34 g/mol
Exact Mass384.15
IUPAC NameN-[3-(methylamino)propyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride
SMILESCNCCCNC(=O)CN(Cc1cccnc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H24N4O.2ClH/c1-19-10-6-12-21-18(23)15-22(17-8-3-2-4-9-17)14-16-7-5-11-20-13-16;;/h2-5,7-9,11,13,19H,6,10,12,14-15H2,1H3,(H,21,23);2*1H
InChIKeyYKZUIHPKGOFMSQ-UHFFFAOYSA-N
XLogP2.66
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(methylamino)propyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;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

N-[(1-hydroxycyclopentyl)methyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide
CID 111427174
2-[N-(pyridin-3-ylmethyl)anilino]-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119537580
N-[1-(aminomethyl)cyclopentyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride
CID 119568018
N-(1-aminopropan-2-yl)-N-methyl-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride
CID 119584746
2-(N-benzylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994706
2-(N-benzylanilino)-N-(3-methylbutyl)acetamide
CID 109005918
3-butyl-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 78786414
2-(N-benzyl-4-methoxyanilino)-N-propylacetamide
CID 18166490
2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113167103
2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 3276875
1-(3-methylpyrrolidin-1-yl)-2-[N-(pyridin-3-ylmethyl)anilino]ethanone
CID 86971794
N-[1-[3-(methylamino)propylamino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 119429792

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride (CID 119433679) is N-[3-(methylamino)propyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride is CNCCCNC(=O)CN(Cc1cccnc1)c1ccccc1.Cl.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride?
The InChIKey is YKZUIHPKGOFMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.2ClH/c1-19-10-6-12-21-18(23)15-22(17-8-3-2-4-9-17)14-16-7-5-11-20-13-16;;/h2-5,7-9,11,13,19H,6,10,12,14-15H2,1H3,(H,21,23);2*1H.
What are the key properties of N-[3-(methylamino)propyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride?
N-[3-(methylamino)propyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride has a molecular weight of 385.34 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride is sourced from PubChem (CID 119433679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).