N-(6-amino-3-pyridinyl)-3-methyl-2-phenylbutanamide;hydrochloride

C16H20ClN3O — CID 119515097

IUPACN-(6-amino-3-pyridinyl)-3-methyl-2-phenylbutanamide;hydrochloride
SMILESCC(C)C(C(=O)Nc1ccc(N)nc1)c1ccccc1.Cl
InChIInChI=1S/C16H19N3O.ClH/c1-11(2)15(12-6-4-3-5-7-12)16(20)19-13-8-9-14(17)18-10-13;/h3-11,15H,1-2H3,(H2,17,18)(H,19,20);1H
InChIKeyYUFLYLYSWZSOGW-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.46
Rot. Bonds4

About N-(6-amino-3-pyridinyl)-3-methyl-2-phenylbutanamide;hydrochloride

N-(6-amino-3-pyridinyl)-3-methyl-2-phenylbutanamide;hydrochloride (PubChem CID 119515097) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-3-methyl-2-phenylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-3-methyl-2-phenylbutanamide;hydrochloride
PubChem CID119515097
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-(6-amino-3-pyridinyl)-3-methyl-2-phenylbutanamide;hydrochloride
SMILESCC(C)C(C(=O)Nc1ccc(N)nc1)c1ccccc1.Cl
InChIInChI=1S/C16H19N3O.ClH/c1-11(2)15(12-6-4-3-5-7-12)16(20)19-13-8-9-14(17)18-10-13;/h3-11,15H,1-2H3,(H2,17,18)(H,19,20);1H
InChIKeyYUFLYLYSWZSOGW-UHFFFAOYSA-N
XLogP3.46
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-amino-3-pyridinyl)-2-phenylpropanamide
CID 114028846
N-(6-amino-3-pyridinyl)-2-benzylsulfanyl-3-methylbutanamide;hydrochloride
CID 119515772
methyl 2-[(6-amino-3-pyridinyl)amino]-2-phenylacetate
CID 55036159
N-(6-amino-3-pyridinyl)-2-methylpentanamide
CID 62899385
N-[1-[(6-amino-3-pyridinyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 119516236
N-(6-amino-3-pyridinyl)-2-ethoxypropanamide
CID 119516288
N-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 55130465
N-(6-amino-3-pyridinyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride
CID 119515245
N-[1-[(6-amino-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride
CID 119515441
2-[5-[[(2R)-2-amino-2-phenylacetyl]amino]-2-pyridinyl]acetic acid
CID 107341049
(2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide
CID 9210800
N-(6-amino-3-pyridinyl)-2-[(2-bromophenyl)methyl]butanamide
CID 119515590

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-3-methyl-2-phenylbutanamide;hydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-3-methyl-2-phenylbutanamide;hydrochloride (CID 119515097) is N-(6-amino-3-pyridinyl)-3-methyl-2-phenylbutanamide;hydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-3-methyl-2-phenylbutanamide;hydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-3-methyl-2-phenylbutanamide;hydrochloride is CC(C)C(C(=O)Nc1ccc(N)nc1)c1ccccc1.Cl.
What is the InChIKey of N-(6-amino-3-pyridinyl)-3-methyl-2-phenylbutanamide;hydrochloride?
The InChIKey is YUFLYLYSWZSOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.ClH/c1-11(2)15(12-6-4-3-5-7-12)16(20)19-13-8-9-14(17)18-10-13;/h3-11,15H,1-2H3,(H2,17,18)(H,19,20);1H.
What are the key properties of N-(6-amino-3-pyridinyl)-3-methyl-2-phenylbutanamide;hydrochloride?
N-(6-amino-3-pyridinyl)-3-methyl-2-phenylbutanamide;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-3-methyl-2-phenylbutanamide;hydrochloride is sourced from PubChem (CID 119515097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).