N-(1-aminopropan-2-yl)-N-methyl-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride

C18H26Cl2N4O — CID 119584746

IUPACN-(1-aminopropan-2-yl)-N-methyl-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride
SMILESCC(CN)N(C)C(=O)CN(Cc1cccnc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H24N4O.2ClH/c1-15(11-19)21(2)18(23)14-22(17-8-4-3-5-9-17)13-16-7-6-10-20-12-16;;/h3-10,12,15H,11,13-14,19H2,1-2H3;2*1H
InChIKeyVCSKQLDDKNXGNO-UHFFFAOYSA-N
MW385.34 g/mol
LogP2.74
Rot. Bonds7

About N-(1-aminopropan-2-yl)-N-methyl-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride

N-(1-aminopropan-2-yl)-N-methyl-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride (PubChem CID 119584746) has the molecular formula C18H26Cl2N4O and a molecular weight of 385.34 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride
PubChem CID119584746
Molecular FormulaC18H26Cl2N4O
Molecular Weight385.34 g/mol
Exact Mass384.15
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride
SMILESCC(CN)N(C)C(=O)CN(Cc1cccnc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H24N4O.2ClH/c1-15(11-19)21(2)18(23)14-22(17-8-4-3-5-9-17)13-16-7-6-10-20-12-16;;/h3-10,12,15H,11,13-14,19H2,1-2H3;2*1H
InChIKeyVCSKQLDDKNXGNO-UHFFFAOYSA-N
XLogP2.74
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-aminopropan-2-yl)-N-methyl-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

3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride
CID 119958250
N-[3-(methylamino)propyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride
CID 119433679
N-[1-(aminomethyl)cyclopentyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride
CID 119568018
1-[2-(aminomethyl)piperidin-1-yl]-2-[N-(pyridin-3-ylmethyl)anilino]ethanone;dihydrochloride
CID 119469325
3-(3-methyl-N-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]anilino)propanamide
CID 86971783
2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 112709140
3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride
CID 119958236
N-methyl-2-pyridin-3-ylacetohydrazide
CID 116844877
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
1-(3-methylpyrrolidin-1-yl)-2-[N-(pyridin-3-ylmethyl)anilino]ethanone
CID 86971794
N-[(1-hydroxycyclopentyl)methyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide
CID 111427174
3-amino-2-hydroxy-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 115180694

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride (CID 119584746) is N-(1-aminopropan-2-yl)-N-methyl-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride is CC(CN)N(C)C(=O)CN(Cc1cccnc1)c1ccccc1.Cl.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride?
The InChIKey is VCSKQLDDKNXGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.2ClH/c1-15(11-19)21(2)18(23)14-22(17-8-4-3-5-9-17)13-16-7-6-10-20-12-16;;/h3-10,12,15H,11,13-14,19H2,1-2H3;2*1H.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride?
N-(1-aminopropan-2-yl)-N-methyl-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride has a molecular weight of 385.34 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride is sourced from PubChem (CID 119584746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).