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

C15H16BrN3O — CID 62173439

IUPACN-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)Cc2cccc(Br)c2)ccn1
InChIInChI=1S/C15H16BrN3O/c1-17-14-9-12(6-7-18-14)15(20)19(2)10-11-4-3-5-13(16)8-11/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyCTDWSZKZXDGBFW-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.16
Rot. Bonds4

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

N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide (PubChem CID 62173439) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
PubChem CID62173439
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC NameN-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)Cc2cccc(Br)c2)ccn1
InChIInChI=1S/C15H16BrN3O/c1-17-14-9-12(6-7-18-14)15(20)19(2)10-11-4-3-5-13(16)8-11/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyCTDWSZKZXDGBFW-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-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 55046834
N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 62170882
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62174359
N-ethyl-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62170484
N-[(4-bromophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62243894
N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62236819
N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61378055
N-[(3-bromophenyl)methyl]-N-methylpyrimidine-5-carboxamide
CID 104626014
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014
2-hydrazinyl-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 62243535
N-[(3-bromophenyl)methyl]-3-hydroxy-N,4-dimethylbenzamide
CID 61416207
N-[(3-bromophenyl)methyl]-4-hydroxy-N,3-dimethylbenzamide
CID 103956433

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide (CID 62173439) is N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)N(C)Cc2cccc(Br)c2)ccn1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is CTDWSZKZXDGBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-17-14-9-12(6-7-18-14)15(20)19(2)10-11-4-3-5-13(16)8-11/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide?
N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-4-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-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62173439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).