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

C19H17BrN4O — CID 109212781

IUPAC4-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccnc(C(=O)NCc3ccccn3)c2)c(Br)c1
InChIInChI=1S/C19H17BrN4O/c1-13-5-6-17(16(20)10-13)24-14-7-9-22-18(11-14)19(25)23-12-15-4-2-3-8-21-15/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyIYLRCTHRWPTBGO-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.22
Rot. Bonds5

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

4-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109212781) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is 4-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109212781
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC Name4-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESCc1ccc(Nc2ccnc(C(=O)NCc3ccccn3)c2)c(Br)c1
InChIInChI=1S/C19H17BrN4O/c1-13-5-6-17(16(20)10-13)24-14-7-9-22-18(11-14)19(25)23-12-15-4-2-3-8-21-15/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyIYLRCTHRWPTBGO-UHFFFAOYSA-N
XLogP4.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212720
6-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109349816
2-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258637
4-(2-bromo-4-methylanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206175
4-(2-bromo-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207857
4-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212742
5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190929
4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109201520
4-[4-(dimethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212771
4-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212690
N-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120767
6-methyl-2-(3-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109329774

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (CID 109212781) is 4-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is Cc1ccc(Nc2ccnc(C(=O)NCc3ccccn3)c2)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is IYLRCTHRWPTBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-13-5-6-17(16(20)10-13)24-14-7-9-22-18(11-14)19(25)23-12-15-4-2-3-8-21-15/h2-11H,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
4-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109212781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).