6-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

C18H16BrN5O — CID 109349816

IUPAC6-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCc3ccccn3)ncn2)c(Br)c1
InChIInChI=1S/C18H16BrN5O/c1-12-5-6-15(14(19)8-12)24-17-9-16(22-11-23-17)18(25)21-10-13-4-2-3-7-20-13/h2-9,11H,10H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyIQYVVHXGDAISNG-UHFFFAOYSA-N
MW398.26 g/mol
LogP3.62
Rot. Bonds5

About 6-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

6-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109349816) has the molecular formula C18H16BrN5O and a molecular weight of 398.26 g/mol. Its IUPAC name is 6-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109349816
Molecular FormulaC18H16BrN5O
Molecular Weight398.26 g/mol
Exact Mass397.05
IUPAC Name6-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCc3ccccn3)ncn2)c(Br)c1
InChIInChI=1S/C18H16BrN5O/c1-12-5-6-15(14(19)8-12)24-17-9-16(22-11-23-17)18(25)21-10-13-4-2-3-7-20-13/h2-9,11H,10H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyIQYVVHXGDAISNG-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

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Related Compounds

4-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212781
6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109349758
2-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258637
6-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109349759
6-(butan-2-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109340604
5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190929
5-(2,5-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282974
6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120909
N-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide
CID 109169486
N-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346632
6-(2,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109348977
N-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120767

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 109349816) is 6-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is Cc1ccc(Nc2cc(C(=O)NCc3ccccn3)ncn2)c(Br)c1.
What is the InChIKey of 6-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is IQYVVHXGDAISNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN5O/c1-12-5-6-15(14(19)8-12)24-17-9-16(22-11-23-17)18(25)21-10-13-4-2-3-7-20-13/h2-9,11H,10H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 6-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
6-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-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 6-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109349816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).