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

C18H16BrN5O — CID 109307139

IUPAC2-(4-bromo-2-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(Br)ccc1Nc1nccc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C18H16BrN5O/c1-12-10-13(19)5-6-15(12)23-18-21-9-7-16(24-18)17(25)22-11-14-4-2-3-8-20-14/h2-10H,11H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyWDNPPNGMXUXIPG-UHFFFAOYSA-N
MW398.26 g/mol
LogP3.62
Rot. Bonds5

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

2-(4-bromo-2-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109307139) has the molecular formula C18H16BrN5O and a molecular weight of 398.26 g/mol. Its IUPAC name is 2-(4-bromo-2-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109307139
Molecular FormulaC18H16BrN5O
Molecular Weight398.26 g/mol
Exact Mass397.05
IUPAC Name2-(4-bromo-2-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(Br)ccc1Nc1nccc(C(=O)NCc2ccccn2)n1
InChIInChI=1S/C18H16BrN5O/c1-12-10-13(19)5-6-15(12)23-18-21-9-7-16(24-18)17(25)22-11-14-4-2-3-8-20-14/h2-10H,11H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyWDNPPNGMXUXIPG-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

2-(2,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307146
2-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307099
2-(tert-butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307055
2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307143
N-(4-bromo-3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306996
2-(butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109296339
N-(pyridin-2-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307025
2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307058
5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190929
2-(1,3-benzodioxol-5-ylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307141
N-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306960
N-(2-bromophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109314730

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-bromo-2-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 109307139) is 2-(4-bromo-2-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-bromo-2-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-bromo-2-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is Cc1cc(Br)ccc1Nc1nccc(C(=O)NCc2ccccn2)n1.
What is the InChIKey of 2-(4-bromo-2-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is WDNPPNGMXUXIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN5O/c1-12-10-13(19)5-6-15(12)23-18-21-9-7-16(24-18)17(25)22-11-14-4-2-3-8-20-14/h2-10H,11H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-(4-bromo-2-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
2-(4-bromo-2-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 2-(4-bromo-2-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).