3-bromo-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide

C16H17BrN2O — CID 107518504

IUPAC3-bromo-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)c2ncccc2Br)cc1
InChIInChI=1S/C16H17BrN2O/c1-11-6-8-13(9-7-11)12(2)19(3)16(20)15-14(17)5-4-10-18-15/h4-10,12H,1-3H3
InChIKeyARCYWVONUUKODS-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.99
Rot. Bonds3

About 3-bromo-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide

3-bromo-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 107518504) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
PubChem CID107518504
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name3-bromo-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)c2ncccc2Br)cc1
InChIInChI=1S/C16H17BrN2O/c1-11-6-8-13(9-7-11)12(2)19(3)16(20)15-14(17)5-4-10-18-15/h4-10,12H,1-3H3
InChIKeyARCYWVONUUKODS-UHFFFAOYSA-N
XLogP3.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 107518506
3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide
CID 107517936
N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 134054395
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 107518180
3-bromo-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 107517877
methyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate
CID 107518636
4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81226725
N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylpyridine-2-carboxamide
CID 62341012
N,1-dimethyl-N-[1-(4-methylphenyl)ethyl]pyrrole-2-carboxamide
CID 134054140
3-[(3-bromopyridine-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 107517011
3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 107518990

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide (CID 107518504) is 3-bromo-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide is Cc1ccc(C(C)N(C)C(=O)c2ncccc2Br)cc1.
What is the InChIKey of 3-bromo-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is ARCYWVONUUKODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-6-8-13(9-7-11)12(2)19(3)16(20)15-14(17)5-4-10-18-15/h4-10,12H,1-3H3.
What are the key properties of 3-bromo-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide?
3-bromo-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 333.23 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 107518504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).