N-[(4-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide

C15H16BrN3O — CID 62176252

IUPACN-[(4-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H16BrN3O/c1-17-14-13(4-3-9-18-14)15(20)19(2)10-11-5-7-12(16)8-6-11/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyUCFQALWBOLNBHG-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.16
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide

N-[(4-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide (PubChem CID 62176252) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
PubChem CID62176252
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H16BrN3O/c1-17-14-13(4-3-9-18-14)15(20)19(2)10-11-5-7-12(16)8-6-11/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyUCFQALWBOLNBHG-UHFFFAOYSA-N
XLogP3.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-3-carboxamide
CID 62243531
N-[(3-fluorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62170886
N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62179082
2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62176798
N-benzyl-2-bromo-N-methylpyridine-3-carboxamide
CID 103751706
N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 55134622
2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 55687965
2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 32892148
2-bromo-N-[(4-cyanophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103754344
N-methyl-2-(methylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 62166706
N-methyl-2-(methylamino)-N-[(3-methyl-1H-indol-2-yl)methyl]pyridine-3-carboxamide
CID 56756856
N-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 60670598

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide (CID 62176252) is N-[(4-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide is CNc1ncccc1C(=O)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is UCFQALWBOLNBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-17-14-13(4-3-9-18-14)15(20)19(2)10-11-5-7-12(16)8-6-11/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide?
N-[(4-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62176252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).