4-amino-N-(2-methyl-5-pyridin-4-ylphenyl)pentanamide;dihydrochloride

C17H23Cl2N3O — CID 120565245

IUPAC4-amino-N-(2-methyl-5-pyridin-4-ylphenyl)pentanamide;dihydrochloride
SMILESCc1ccc(-c2ccncc2)cc1NC(=O)CCC(C)N.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-12-3-5-15(14-7-9-19-10-8-14)11-16(12)20-17(21)6-4-13(2)18;;/h3,5,7-11,13H,4,6,18H2,1-2H3,(H,20,21);2*1H
InChIKeyGDOUCLQVNUYZKV-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.97
Rot. Bonds5

About 4-amino-N-(2-methyl-5-pyridin-4-ylphenyl)pentanamide;dihydrochloride

4-amino-N-(2-methyl-5-pyridin-4-ylphenyl)pentanamide;dihydrochloride (PubChem CID 120565245) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is 4-amino-N-(2-methyl-5-pyridin-4-ylphenyl)pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-(2-methyl-5-pyridin-4-ylphenyl)pentanamide;dihydrochloride
PubChem CID120565245
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC Name4-amino-N-(2-methyl-5-pyridin-4-ylphenyl)pentanamide;dihydrochloride
SMILESCc1ccc(-c2ccncc2)cc1NC(=O)CCC(C)N.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-12-3-5-15(14-7-9-19-10-8-14)11-16(12)20-17(21)6-4-13(2)18;;/h3,5,7-11,13H,4,6,18H2,1-2H3,(H,20,21);2*1H
InChIKeyGDOUCLQVNUYZKV-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2,5-dimethylphenyl)pentanamide;hydrochloride
CID 120558604
4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride
CID 120558801
N-(2-methyl-5-pyridin-4-ylphenyl)acetamide
CID 71934327
N-[2-methyl-5-(4-methylphenyl)phenyl]butanamide
CID 170112868
4-amino-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
CID 120564262
4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride
CID 120558654
4-amino-N-(4-methoxy-3-pyridinyl)pentanamide;dihydrochloride
CID 120565135
N-(2-cyano-4-pyridin-4-ylphenyl)-4-methylpentanamide
CID 121255899
4,5,6-trimethyl-2-[2-(2-methyl-5-pyridin-4-ylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide
CID 166182563
N-(2-methyl-5-pyridin-4-ylphenyl)thiophene-3-carboxamide
CID 122136858
4-hydroxy-N-(4-methyl-3-pyridinyl)pentanamide
CID 79191742
3-amino-N-(2,5-dimethylphenyl)butanamide
CID 60835673

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methyl-5-pyridin-4-ylphenyl)pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-(2-methyl-5-pyridin-4-ylphenyl)pentanamide;dihydrochloride (CID 120565245) is 4-amino-N-(2-methyl-5-pyridin-4-ylphenyl)pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-(2-methyl-5-pyridin-4-ylphenyl)pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-(2-methyl-5-pyridin-4-ylphenyl)pentanamide;dihydrochloride is Cc1ccc(-c2ccncc2)cc1NC(=O)CCC(C)N.Cl.Cl.
What is the InChIKey of 4-amino-N-(2-methyl-5-pyridin-4-ylphenyl)pentanamide;dihydrochloride?
The InChIKey is GDOUCLQVNUYZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.2ClH/c1-12-3-5-15(14-7-9-19-10-8-14)11-16(12)20-17(21)6-4-13(2)18;;/h3,5,7-11,13H,4,6,18H2,1-2H3,(H,20,21);2*1H.
What are the key properties of 4-amino-N-(2-methyl-5-pyridin-4-ylphenyl)pentanamide;dihydrochloride?
4-amino-N-(2-methyl-5-pyridin-4-ylphenyl)pentanamide;dihydrochloride has a molecular weight of 356.30 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methyl-5-pyridin-4-ylphenyl)pentanamide;dihydrochloride is sourced from PubChem (CID 120565245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).