N-(2-chloro-4,6-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide

C19H18ClN5O — CID 109283431

IUPACN-(2-chloro-4,6-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnc(NCc3cccnc3)cn2)c(Cl)c1
InChIInChI=1S/C19H18ClN5O/c1-12-6-13(2)18(15(20)7-12)25-19(26)16-10-24-17(11-22-16)23-9-14-4-3-5-21-8-14/h3-8,10-11H,9H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyPSLNWAYMAQSMGG-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.01
Rot. Bonds5

About N-(2-chloro-4,6-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide (PubChem CID 109283431) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
PubChem CID109283431
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cnc(NCc3cccnc3)cn2)c(Cl)c1
InChIInChI=1S/C19H18ClN5O/c1-12-6-13(2)18(15(20)7-12)25-19(26)16-10-24-17(11-22-16)23-9-14-4-3-5-21-8-14/h3-8,10-11H,9H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyPSLNWAYMAQSMGG-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-chloro-4,6-dimethylphenyl)-5-(pyridin-3-ylmethylamino)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

N-(3-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283399
6-(pyridin-3-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
CID 109121003
N-(3-bromo-4-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283435
N-(3-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283424
5-[(3-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109280368
N-(2-chloro-4,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109158060
2-(2-chloro-4,6-dimethylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999536
2-N-(2-chloro-4,6-dimethylphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893482
5-(benzylamino)-N-(2,6-dimethylphenyl)pyrazine-2-carboxamide
CID 109279863
5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283574
5-(furan-2-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109279550
N-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283445

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide (CID 109283431) is N-(2-chloro-4,6-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide is Cc1cc(C)c(NC(=O)c2cnc(NCc3cccnc3)cn2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide?
The InChIKey is PSLNWAYMAQSMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-12-6-13(2)18(15(20)7-12)25-19(26)16-10-24-17(11-22-16)23-9-14-4-3-5-21-8-14/h3-8,10-11H,9H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109283431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).