5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide

C18H16BrN5O — CID 109283613

IUPAC5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
SMILESCc1cc(Nc2cnc(C(=O)NCc3ccncc3)cn2)ccc1Br
InChIInChI=1S/C18H16BrN5O/c1-12-8-14(2-3-15(12)19)24-17-11-21-16(10-22-17)18(25)23-9-13-4-6-20-7-5-13/h2-8,10-11H,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyBJEFGJYLQVVLTM-UHFFFAOYSA-N
MW398.26 g/mol
LogP3.62
Rot. Bonds5

About 5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide

5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide (PubChem CID 109283613) has the molecular formula C18H16BrN5O and a molecular weight of 398.26 g/mol. Its IUPAC name is 5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
PubChem CID109283613
Molecular FormulaC18H16BrN5O
Molecular Weight398.26 g/mol
Exact Mass397.05
IUPAC Name5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
SMILESCc1cc(Nc2cnc(C(=O)NCc3ccncc3)cn2)ccc1Br
InChIInChI=1S/C18H16BrN5O/c1-12-8-14(2-3-15(12)19)24-17-11-21-16(10-22-17)18(25)23-9-13-4-6-20-7-5-13/h2-8,10-11H,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyBJEFGJYLQVVLTM-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-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213355
5-(4-bromo-3-methylanilino)-N-butylpyrazine-2-carboxamide
CID 109272503
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109282024
5-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide
CID 109287309
5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283574
5-(4-bromo-3-methylanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288979
N-(pyridin-4-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109283603
4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 113338678
5-(4-bromo-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294407
5-(3-acetamidoanilino)-N-benzylpyrazine-2-carboxamide
CID 109279750
5-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283625
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191596

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide (CID 109283613) is 5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide is Cc1cc(Nc2cnc(C(=O)NCc3ccncc3)cn2)ccc1Br.
What is the InChIKey of 5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is BJEFGJYLQVVLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN5O/c1-12-8-14(2-3-15(12)19)24-17-11-21-16(10-22-17)18(25)23-9-13-4-6-20-7-5-13/h2-8,10-11H,9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide?
5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-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 5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109283613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).