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

C14H14BrN3O — CID 133313281

IUPAC4-[(2-bromophenyl)methyl-methylamino]pyridine-2-carboxamide
SMILESCN(Cc1ccccc1Br)c1ccnc(C(N)=O)c1
InChIInChI=1S/C14H14BrN3O/c1-18(9-10-4-2-3-5-12(10)15)11-6-7-17-13(8-11)14(16)19/h2-8H,9H2,1H3,(H2,16,19)
InChIKeyBTLRRKNCWVSHNW-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.58
Rot. Bonds4

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

4-[(2-bromophenyl)methyl-methylamino]pyridine-2-carboxamide (PubChem CID 133313281) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methyl-methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-bromophenyl)methyl-methylamino]pyridine-2-carboxamide
PubChem CID133313281
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name4-[(2-bromophenyl)methyl-methylamino]pyridine-2-carboxamide
SMILESCN(Cc1ccccc1Br)c1ccnc(C(N)=O)c1
InChIInChI=1S/C14H14BrN3O/c1-18(9-10-4-2-3-5-12(10)15)11-6-7-17-13(8-11)14(16)19/h2-8H,9H2,1H3,(H2,16,19)
InChIKeyBTLRRKNCWVSHNW-UHFFFAOYSA-N
XLogP2.58
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2-bromophenyl)methyl-methylamino]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide
CID 60871365
4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide
CID 171327108
4-[methyl(2-phenylethyl)amino]pyridine-2-carboxamide
CID 75509679
4-[butyl(methyl)amino]pyridine-2-carboxamide
CID 133313214
methyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate
CID 62006417
methyl 4-[[(2-carbamoyl-4-pyridinyl)-methylamino]methyl]benzoate
CID 133313787
4-(aminomethyl)-3-bromo-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 107274766
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
2-[(2-bromophenyl)methyl-methylamino]pyridine-4-carboximidamide
CID 61416094
4-[[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-methylamino]pyridine-2-carboxamide
CID 54992228
4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123939
4-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81232826

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methyl-methylamino]pyridine-2-carboxamide?
The IUPAC name of 4-[(2-bromophenyl)methyl-methylamino]pyridine-2-carboxamide (CID 133313281) is 4-[(2-bromophenyl)methyl-methylamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(2-bromophenyl)methyl-methylamino]pyridine-2-carboxamide?
The canonical SMILES for 4-[(2-bromophenyl)methyl-methylamino]pyridine-2-carboxamide is CN(Cc1ccccc1Br)c1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[(2-bromophenyl)methyl-methylamino]pyridine-2-carboxamide?
The InChIKey is BTLRRKNCWVSHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-18(9-10-4-2-3-5-12(10)15)11-6-7-17-13(8-11)14(16)19/h2-8H,9H2,1H3,(H2,16,19).
What are the key properties of 4-[(2-bromophenyl)methyl-methylamino]pyridine-2-carboxamide?
4-[(2-bromophenyl)methyl-methylamino]pyridine-2-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methyl-methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 133313281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).