4-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

C19H17BrN4O — CID 109213355

IUPAC4-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESCc1cc(Nc2ccnc(C(=O)NCc3ccncc3)c2)ccc1Br
InChIInChI=1S/C19H17BrN4O/c1-13-10-15(2-3-17(13)20)24-16-6-9-22-18(11-16)19(25)23-12-14-4-7-21-8-5-14/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyDKIRMSDMXHGBEI-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.22
Rot. Bonds5

About 4-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

4-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 109213355) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is 4-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
PubChem CID109213355
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC Name4-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESCc1cc(Nc2ccnc(C(=O)NCc3ccncc3)c2)ccc1Br
InChIInChI=1S/C19H17BrN4O/c1-13-10-15(2-3-17(13)20)24-16-6-9-22-18(11-16)19(25)23-12-14-4-7-21-8-5-14/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyDKIRMSDMXHGBEI-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

5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283613
4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213313
4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213382
4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 113338678
N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109209680
4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210484
4-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213367
4-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109209976
4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211464
N-(4-bromo-3-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
CID 109259353
4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide
CID 109209720
N-(pyridin-4-ylmethyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109213332

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (CID 109213355) is 4-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is Cc1cc(Nc2ccnc(C(=O)NCc3ccncc3)c2)ccc1Br.
What is the InChIKey of 4-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is DKIRMSDMXHGBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-13-10-15(2-3-17(13)20)24-16-6-9-22-18(11-16)19(25)23-12-14-4-7-21-8-5-14/h2-11H,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
4-(4-bromo-3-methylanilino)-N-(pyridin-4-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-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109213355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).