N-[1-[(6-amino-3-pyridinyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride

C13H21ClN4O2 — CID 119516236

IUPACN-[1-[(6-amino-3-pyridinyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(NC(=O)C(C)(C)C)C(=O)Nc1ccc(N)nc1.Cl
InChIInChI=1S/C13H20N4O2.ClH/c1-8(16-12(19)13(2,3)4)11(18)17-9-5-6-10(14)15-7-9;/h5-8H,1-4H3,(H2,14,15)(H,16,19)(H,17,18);1H
InChIKeyUFZDHJUHSLICMC-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.57
Rot. Bonds3

About N-[1-[(6-amino-3-pyridinyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride

N-[1-[(6-amino-3-pyridinyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119516236) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[1-[(6-amino-3-pyridinyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(6-amino-3-pyridinyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
PubChem CID119516236
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC NameN-[1-[(6-amino-3-pyridinyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(NC(=O)C(C)(C)C)C(=O)Nc1ccc(N)nc1.Cl
InChIInChI=1S/C13H20N4O2.ClH/c1-8(16-12(19)13(2,3)4)11(18)17-9-5-6-10(14)15-7-9;/h5-8H,1-4H3,(H2,14,15)(H,16,19)(H,17,18);1H
InChIKeyUFZDHJUHSLICMC-UHFFFAOYSA-N
XLogP1.57
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-amino-3-pyridinyl)-2-phenylpropanamide
CID 114028846
N-(6-amino-3-pyridinyl)-2-methylpentanamide
CID 62899385
N-(6-amino-3-pyridinyl)-3-methyl-2-phenylbutanamide;hydrochloride
CID 119515097
N-(6-amino-3-pyridinyl)-2-ethoxypropanamide
CID 119516288
N-[1-[(6-amino-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride
CID 119515441
N-(6-amino-3-pyridinyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119516475
N-(6-amino-3-pyridinyl)-2-(methanesulfonamido)-2-methylpropanamide
CID 119516146
N-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 55130465
N-(6-amino-3-pyridinyl)-2-(4-ethylphenyl)-2-methylpropanamide;hydrochloride
CID 119515768
N-(6-amino-3-pyridinyl)-3,5-dimethylhexanamide;hydrochloride
CID 119516110
N-[1-[(6-amino-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide;hydrochloride
CID 119516055
N-(6-amino-3-pyridinyl)-2-benzylsulfanyl-3-methylbutanamide;hydrochloride
CID 119515772

Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-amino-3-pyridinyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of N-[1-[(6-amino-3-pyridinyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride (CID 119516236) is N-[1-[(6-amino-3-pyridinyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for N-[1-[(6-amino-3-pyridinyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for N-[1-[(6-amino-3-pyridinyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride is CC(NC(=O)C(C)(C)C)C(=O)Nc1ccc(N)nc1.Cl.
What is the InChIKey of N-[1-[(6-amino-3-pyridinyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is UFZDHJUHSLICMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2.ClH/c1-8(16-12(19)13(2,3)4)11(18)17-9-5-6-10(14)15-7-9;/h5-8H,1-4H3,(H2,14,15)(H,16,19)(H,17,18);1H.
What are the key properties of N-[1-[(6-amino-3-pyridinyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride?
N-[1-[(6-amino-3-pyridinyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-amino-3-pyridinyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119516236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).