N-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide

C15H14BrClN2O — CID 81226226

IUPACN-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)N(C)Cc2ccccc2Br)cn1
InChIInChI=1S/C15H14BrClN2O/c1-10-7-14(17)12(8-18-10)15(20)19(2)9-11-5-3-4-6-13(11)16/h3-8H,9H2,1-2H3
InChIKeyKGNKCAIWZULWAF-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.08
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide

N-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide (PubChem CID 81226226) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide
PubChem CID81226226
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC NameN-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)N(C)Cc2ccccc2Br)cn1
InChIInChI=1S/C15H14BrClN2O/c1-10-7-14(17)12(8-18-10)15(20)19(2)9-11-5-3-4-6-13(11)16/h3-8H,9H2,1-2H3
InChIKeyKGNKCAIWZULWAF-UHFFFAOYSA-N
XLogP4.08
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(2,4-dichlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81227711
4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81240859
4-chloro-N,6-dimethyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
CID 81226370
N-[(2-chlorophenyl)methyl]-N,6-dimethyl-4-(methylamino)pyridine-3-carboxamide
CID 81238660
4-chloro-N-ethyl-N,6-dimethylpyridine-3-carboxamide
CID 81225000
N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 60630835
4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide
CID 103817245
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935
5-bromo-2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62000635
4-chloro-N,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 81226216
N-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62515868
4-chloro-N-(2-methoxyethyl)-N,6-dimethylpyridine-3-carboxamide
CID 81226512

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide (CID 81226226) is N-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)N(C)Cc2ccccc2Br)cn1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide?
The InChIKey is KGNKCAIWZULWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-10-7-14(17)12(8-18-10)15(20)19(2)9-11-5-3-4-6-13(11)16/h3-8H,9H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide?
N-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide has a molecular weight of 353.65 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-4-chloro-N,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 81226226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).