N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride

C12H17BrClN3O2 — CID 119821002

IUPACN-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCl.Cn1cc(NC(=O)CNCC2CC2)cc(Br)c1=O
InChIInChI=1S/C12H16BrN3O2.ClH/c1-16-7-9(4-10(13)12(16)18)15-11(17)6-14-5-8-2-3-8;/h4,7-8,14H,2-3,5-6H2,1H3,(H,15,17);1H
InChIKeyZRZZNCROKFPVBF-UHFFFAOYSA-N
MW350.64 g/mol
LogP1.51
Rot. Bonds5

About N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride

N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride (PubChem CID 119821002) has the molecular formula C12H17BrClN3O2 and a molecular weight of 350.64 g/mol. Its IUPAC name is N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
PubChem CID119821002
Molecular FormulaC12H17BrClN3O2
Molecular Weight350.64 g/mol
Exact Mass349.02
IUPAC NameN-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCl.Cn1cc(NC(=O)CNCC2CC2)cc(Br)c1=O
InChIInChI=1S/C12H16BrN3O2.ClH/c1-16-7-9(4-10(13)12(16)18)15-11(17)6-14-5-8-2-3-8;/h4,7-8,14H,2-3,5-6H2,1H3,(H,15,17);1H
InChIKeyZRZZNCROKFPVBF-UHFFFAOYSA-N
XLogP1.51
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.64
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)propanamide;hydrochloride
CID 119344889
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-butoxyacetamide
CID 71856485
3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)butanamide
CID 119821015
2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)acetamide
CID 60842452
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640
2-(cyclopropylmethylamino)-N-(4-fluoro-3-methylphenyl)acetamide;hydrochloride
CID 119707226
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide
CID 60868348
2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride
CID 119694268
N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2-(methylamino)acetamide;hydrochloride
CID 119822115
N-(4-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide
CID 106133833

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride (CID 119821002) is N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride is Cl.Cn1cc(NC(=O)CNCC2CC2)cc(Br)c1=O.
What is the InChIKey of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The InChIKey is ZRZZNCROKFPVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2.ClH/c1-16-7-9(4-10(13)12(16)18)15-11(17)6-14-5-8-2-3-8;/h4,7-8,14H,2-3,5-6H2,1H3,(H,15,17);1H.
What are the key properties of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride?
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride has a molecular weight of 350.64 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119821002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).