3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)propanamide;hydrochloride

C9H13BrClN3O2 — CID 119344889

IUPAC3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)propanamide;hydrochloride
SMILESCl.Cn1cc(NC(=O)CCN)cc(Br)c1=O
InChIInChI=1S/C9H12BrN3O2.ClH/c1-13-5-6(4-7(10)9(13)15)12-8(14)2-3-11;/h4-5H,2-3,11H2,1H3,(H,12,14);1H
InChIKeyROIHFYDHWVCUKM-UHFFFAOYSA-N
MW310.58 g/mol
LogP0.86
Rot. Bonds3

About 3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)propanamide;hydrochloride

3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)propanamide;hydrochloride (PubChem CID 119344889) has the molecular formula C9H13BrClN3O2 and a molecular weight of 310.58 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)propanamide;hydrochloride
PubChem CID119344889
Molecular FormulaC9H13BrClN3O2
Molecular Weight310.58 g/mol
Exact Mass308.99
IUPAC Name3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)propanamide;hydrochloride
SMILESCl.Cn1cc(NC(=O)CCN)cc(Br)c1=O
InChIInChI=1S/C9H12BrN3O2.ClH/c1-13-5-6(4-7(10)9(13)15)12-8(14)2-3-11;/h4-5H,2-3,11H2,1H3,(H,12,14);1H
InChIKeyROIHFYDHWVCUKM-UHFFFAOYSA-N
XLogP0.86
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.58
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119821015
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119821002
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide
CID 71921848
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-butoxyacetamide
CID 71856485
ethyl 4-(3-aminopropanoylamino)-1-methylpyrrole-2-carboxylate
CID 119342719
4-(3-aminopropanoylamino)-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 14106661
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119344897
3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride
CID 75530834
N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2-(methylamino)acetamide;hydrochloride
CID 119822115
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)morpholine-3-carboxamide;hydrochloride
CID 119820984
N-[5-[[3-(4-aminobutylamino)-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]-4-[3-[[4-[[4-[(4,5-dibromothiophene-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]propanoylamino]-1-methylpyrrole-2-carboxamide
CID 10235038
3-amino-N-(4-methylphenyl)propanamide;hydrochloride
CID 15558174

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)propanamide;hydrochloride (CID 119344889) is 3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)propanamide;hydrochloride is Cl.Cn1cc(NC(=O)CCN)cc(Br)c1=O.
What is the InChIKey of 3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)propanamide;hydrochloride?
The InChIKey is ROIHFYDHWVCUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2.ClH/c1-13-5-6(4-7(10)9(13)15)12-8(14)2-3-11;/h4-5H,2-3,11H2,1H3,(H,12,14);1H.
What are the key properties of 3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)propanamide;hydrochloride?
3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)propanamide;hydrochloride has a molecular weight of 310.58 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)propanamide;hydrochloride is sourced from PubChem (CID 119344889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).