N-benzyl-5-(3-chloro-4-methoxyanilino)pyrazine-2-carboxamide

C19H17ClN4O2 — CID 109279730

IUPACN-benzyl-5-(3-chloro-4-methoxyanilino)pyrazine-2-carboxamide
SMILESCOc1ccc(Nc2cnc(C(=O)NCc3ccccc3)cn2)cc1Cl
InChIInChI=1S/C19H17ClN4O2/c1-26-17-8-7-14(9-15(17)20)24-18-12-21-16(11-22-18)19(25)23-10-13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyVQFWIHFMBWAPCY-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.81
Rot. Bonds6

About N-benzyl-5-(3-chloro-4-methoxyanilino)pyrazine-2-carboxamide

N-benzyl-5-(3-chloro-4-methoxyanilino)pyrazine-2-carboxamide (PubChem CID 109279730) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-benzyl-5-(3-chloro-4-methoxyanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(3-chloro-4-methoxyanilino)pyrazine-2-carboxamide
PubChem CID109279730
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-benzyl-5-(3-chloro-4-methoxyanilino)pyrazine-2-carboxamide
SMILESCOc1ccc(Nc2cnc(C(=O)NCc3ccccc3)cn2)cc1Cl
InChIInChI=1S/C19H17ClN4O2/c1-26-17-8-7-14(9-15(17)20)24-18-12-21-16(11-22-18)19(25)23-10-13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyVQFWIHFMBWAPCY-UHFFFAOYSA-N
XLogP3.81
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-(3-chloro-4-methoxyanilino)-N-ethylpyrazine-2-carboxamide
CID 109282790
N-benzyl-5-(2-methoxyanilino)pyrazine-2-carboxamide
CID 109279734
5-(3-chloro-4-methoxyanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109293298
5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide
CID 109292718
5-(3-chloro-4-methoxyanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292477
N-(3-chloro-4-methoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283971
5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283887
5-(3-acetamidoanilino)-N-benzylpyrazine-2-carboxamide
CID 109279750
5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282451
2-N-benzyl-4-N-(3-chloro-4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109085469
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109282024
5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282450

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3-chloro-4-methoxyanilino)pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-5-(3-chloro-4-methoxyanilino)pyrazine-2-carboxamide (CID 109279730) is N-benzyl-5-(3-chloro-4-methoxyanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(3-chloro-4-methoxyanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(3-chloro-4-methoxyanilino)pyrazine-2-carboxamide is COc1ccc(Nc2cnc(C(=O)NCc3ccccc3)cn2)cc1Cl.
What is the InChIKey of N-benzyl-5-(3-chloro-4-methoxyanilino)pyrazine-2-carboxamide?
The InChIKey is VQFWIHFMBWAPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-26-17-8-7-14(9-15(17)20)24-18-12-21-16(11-22-18)19(25)23-10-13-5-3-2-4-6-13/h2-9,11-12H,10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-benzyl-5-(3-chloro-4-methoxyanilino)pyrazine-2-carboxamide?
N-benzyl-5-(3-chloro-4-methoxyanilino)pyrazine-2-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(3-chloro-4-methoxyanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109279730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).