5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide

C19H18ClN5O — CID 109283000

IUPAC5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
SMILESCc1cc(C)c(Nc2cnc(C(=O)NCc3ccccn3)cn2)c(Cl)c1
InChIInChI=1S/C19H18ClN5O/c1-12-7-13(2)18(15(20)8-12)25-17-11-22-16(10-23-17)19(26)24-9-14-5-3-4-6-21-14/h3-8,10-11H,9H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCEVNCSVFBCIFBC-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.82
Rot. Bonds5

About 5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide

5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 109283000) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID109283000
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
SMILESCc1cc(C)c(Nc2cnc(C(=O)NCc3ccccn3)cn2)c(Cl)c1
InChIInChI=1S/C19H18ClN5O/c1-12-7-13(2)18(15(20)8-12)25-17-11-22-16(10-23-17)19(26)24-9-14-5-3-4-6-21-14/h3-8,10-11H,9H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyCEVNCSVFBCIFBC-UHFFFAOYSA-N
XLogP3.82
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283574
2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109171664
5-(2,5-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282974
N-(pyridin-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109190941
5-(2,6-diethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282986
N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
CID 109280021
5-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109287810
N-(pyridin-2-ylmethyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109282922
N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyrazine-2-carboxamide
CID 109273234
N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 19224279
5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190929
4-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212742

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide (CID 109283000) is 5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide is Cc1cc(C)c(Nc2cnc(C(=O)NCc3ccccn3)cn2)c(Cl)c1.
What is the InChIKey of 5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is CEVNCSVFBCIFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-12-7-13(2)18(15(20)8-12)25-17-11-22-16(10-23-17)19(26)24-9-14-5-3-4-6-21-14/h3-8,10-11H,9H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide?
5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109283000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).