2-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide

C18H16BrN5O — CID 109258637

IUPAC2-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)NCc3ccccn3)cn2)c(Br)c1
InChIInChI=1S/C18H16BrN5O/c1-12-5-6-16(15(19)8-12)24-18-22-9-13(10-23-18)17(25)21-11-14-4-2-3-7-20-14/h2-10H,11H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyOOAIAQCBKIAYLZ-UHFFFAOYSA-N
MW398.26 g/mol
LogP3.62
Rot. Bonds5

About 2-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide

2-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 109258637) has the molecular formula C18H16BrN5O and a molecular weight of 398.26 g/mol. Its IUPAC name is 2-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID109258637
Molecular FormulaC18H16BrN5O
Molecular Weight398.26 g/mol
Exact Mass397.05
IUPAC Name2-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)NCc3ccccn3)cn2)c(Br)c1
InChIInChI=1S/C18H16BrN5O/c1-12-5-6-16(15(19)8-12)24-18-22-9-13(10-23-18)17(25)21-11-14-4-2-3-7-20-14/h2-10H,11H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyOOAIAQCBKIAYLZ-UHFFFAOYSA-N
XLogP3.62
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-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-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212781
2-(2-bromo-4-methylanilino)-N-propylpyrimidine-5-carboxamide
CID 109246631
6-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109349816
2-(3,5-dichloroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258652
2-(2-bromo-4-methylanilino)-N-butan-2-ylpyrimidine-5-carboxamide
CID 109248979
2-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258580
3-N-(2-bromo-4-methylphenyl)-5-N-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112951966
5-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109235030
N-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide
CID 109169486
5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190929
2-(1,3-benzodioxol-5-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258640
2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255853

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide (CID 109258637) is 2-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide is Cc1ccc(Nc2ncc(C(=O)NCc3ccccn3)cn2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is OOAIAQCBKIAYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN5O/c1-12-5-6-16(15(19)8-12)24-18-22-9-13(10-23-18)17(25)21-11-14-4-2-3-7-20-14/h2-10H,11H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 2-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide?
2-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 398.26 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109258637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).