N-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide

C19H14ClN5O2 — CID 109293290

IUPACN-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(Nc3cccc(C#N)c3)cn2)cc1Cl
InChIInChI=1S/C19H14ClN5O2/c1-27-17-6-5-14(8-15(17)20)25-19(26)16-10-23-18(11-22-16)24-13-4-2-3-12(7-13)9-21/h2-8,10-11H,1H3,(H,23,24)(H,25,26)
InChIKeyPWMZRRSTPZFWRD-UHFFFAOYSA-N
MW379.81 g/mol
LogP4.01
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide

N-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide (PubChem CID 109293290) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide
PubChem CID109293290
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(Nc3cccc(C#N)c3)cn2)cc1Cl
InChIInChI=1S/C19H14ClN5O2/c1-27-17-6-5-14(8-15(17)20)25-19(26)16-10-23-18(11-22-16)24-13-4-2-3-12(7-13)9-21/h2-8,10-11H,1H3,(H,23,24)(H,25,26)
InChIKeyPWMZRRSTPZFWRD-UHFFFAOYSA-N
XLogP4.01
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109199613
5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide
CID 109292718
4-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109221390
2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177812
5-(3-chloro-4-methoxyanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109293298
5-(3-chloro-4-methoxyanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292477
N-(3-cyanophenyl)-5-(2,3-dichloroanilino)pyrazine-2-carboxamide
CID 109294627
6-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109359281
5-(3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293839
N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113022770
3-[[6-(3-chloro-4-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112878212
5-(3-cyanoanilino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide
CID 109292172

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide (CID 109293290) is N-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide is COc1ccc(NC(=O)c2cnc(Nc3cccc(C#N)c3)cn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide?
The InChIKey is PWMZRRSTPZFWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c1-27-17-6-5-14(8-15(17)20)25-19(26)16-10-23-18(11-22-16)24-13-4-2-3-12(7-13)9-21/h2-8,10-11H,1H3,(H,23,24)(H,25,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide has a molecular weight of 379.81 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-(3-cyanoanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109293290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).