N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide

C16H16BrN3O3 — CID 24543876

IUPACN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C16H16BrN3O3/c1-10-8-11(17)5-6-13(10)19-14(21)9-20(2)16(23)12-4-3-7-18-15(12)22/h3-8H,9H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyMIAXXJDFJHQKTQ-UHFFFAOYSA-N
MW378.23 g/mol
LogP2.16
Rot. Bonds4

About N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 24543876) has the molecular formula C16H16BrN3O3 and a molecular weight of 378.23 g/mol. Its IUPAC name is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID24543876
Molecular FormulaC16H16BrN3O3
Molecular Weight378.23 g/mol
Exact Mass377.04
IUPAC NameN-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C16H16BrN3O3/c1-10-8-11(17)5-6-13(10)19-14(21)9-20(2)16(23)12-4-3-7-18-15(12)22/h3-8H,9H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyMIAXXJDFJHQKTQ-UHFFFAOYSA-N
XLogP2.16
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide
CID 26904815
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 8698305
5-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-chloro-N-methylbenzamide
CID 26904812
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 134034240
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 27761650
2-bromo-N-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
CID 27761796
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-chloro-N-methylthiophene-2-carboxamide
CID 26678374
N-(4-bromo-2-methylphenyl)-2-[methyl-(2-methylsulfanylacetyl)amino]acetamide
CID 17407334
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-1-(2-methylpropyl)indole-3-carboxamide
CID 55914201
3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide
CID 16583098
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46636324
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3,6-dichloro-N-methylpyridine-2-carboxamide
CID 26904882

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 24543876) is N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc[nH]c1=O.
What is the InChIKey of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MIAXXJDFJHQKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O3/c1-10-8-11(17)5-6-13(10)19-14(21)9-20(2)16(23)12-4-3-7-18-15(12)22/h3-8H,9H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 378.23 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 24543876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).