N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride

C17H23Cl2N3O — CID 119526338

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)c2cccnc2)cc1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-12(2)13-5-7-14(8-6-13)16(18)11-20-17(21)15-4-3-9-19-10-15;;/h3-10,12,16H,11,18H2,1-2H3,(H,20,21);2*1H
InChIKeyXXZAPSNJCGQAMY-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.48
Rot. Bonds5

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 119526338) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride
PubChem CID119526338
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)c2cccnc2)cc1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-12(2)13-5-7-14(8-6-13)16(18)11-20-17(21)15-4-3-9-19-10-15;;/h3-10,12,16H,11,18H2,1-2H3,(H,20,21);2*1H
InChIKeyXXZAPSNJCGQAMY-UHFFFAOYSA-N
XLogP3.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-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

N-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 9157955
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride
CID 119526848
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-fluoropyridine-4-carboxamide;dihydrochloride
CID 119525380
N-(2-phenylpropyl)pyridine-3-carboxamide
CID 46446505
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 119526891
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylsulfonylbenzamide;hydrochloride
CID 119526864
N-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-2-phenylethyl]pyridine-3-carboxamide
CID 146220042
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-propanoylbenzamide
CID 119526547
methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
CID 103879213
N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]pyridine-3-carboxamide
CID 113058717

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride (CID 119526338) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride is CC(C)c1ccc(C(N)CNC(=O)c2cccnc2)cc1.Cl.Cl.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is XXZAPSNJCGQAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.2ClH/c1-12(2)13-5-7-14(8-6-13)16(18)11-20-17(21)15-4-3-9-19-10-15;;/h3-10,12,16H,11,18H2,1-2H3,(H,20,21);2*1H.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 356.30 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119526338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).