5-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide

C17H13Cl2N5O — CID 109283625

IUPAC5-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cnc(Nc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C17H13Cl2N5O/c18-12-1-2-13(19)14(7-12)24-16-10-21-15(9-22-16)17(25)23-8-11-3-5-20-6-4-11/h1-7,9-10H,8H2,(H,22,24)(H,23,25)
InChIKeyQHTQFUDNKZIPEB-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.85
Rot. Bonds5

About 5-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide

5-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide (PubChem CID 109283625) has the molecular formula C17H13Cl2N5O and a molecular weight of 374.23 g/mol. Its IUPAC name is 5-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
PubChem CID109283625
Molecular FormulaC17H13Cl2N5O
Molecular Weight374.23 g/mol
Exact Mass373.05
IUPAC Name5-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cnc(Nc2cc(Cl)ccc2Cl)cn1
InChIInChI=1S/C17H13Cl2N5O/c18-12-1-2-13(19)14(7-12)24-16-10-21-15(9-22-16)17(25)23-8-11-3-5-20-6-4-11/h1-7,9-10H,8H2,(H,22,24)(H,23,25)
InChIKeyQHTQFUDNKZIPEB-UHFFFAOYSA-N
XLogP3.85
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213367
5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282039
5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283574
5-(4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282443
5-(2,5-dichloroanilino)-N-(2-fluorophenyl)pyrazine-2-carboxamide
CID 109292385
N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281984
5-(2,5-dichloroanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288990
5-(2,5-dichloroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289712
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283613
N-[(4-chlorophenyl)methyl]-5-(2,5-dimethoxyanilino)pyrazine-2-carboxamide
CID 109282055
5-(3,5-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281654

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide (CID 109283625) is 5-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide is O=C(NCc1ccncc1)c1cnc(Nc2cc(Cl)ccc2Cl)cn1.
What is the InChIKey of 5-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is QHTQFUDNKZIPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N5O/c18-12-1-2-13(19)14(7-12)24-16-10-21-15(9-22-16)17(25)23-8-11-3-5-20-6-4-11/h1-7,9-10H,8H2,(H,22,24)(H,23,25).
What are the key properties of 5-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide?
5-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 374.23 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109283625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).