5-[6-(3-chloroanilino)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide

C20H21ClN6O — CID 5330370

IUPAC5-[6-(3-chloroanilino)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
SMILESCN(C)CCNC(=O)c1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C20H21ClN6O/c1-27(2)7-6-24-20(28)15-8-14(10-22-11-15)18-12-23-13-19(26-18)25-17-5-3-4-16(21)9-17/h3-5,8-13H,6-7H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyJOOCYOYATLAZKH-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.23
Rot. Bonds7

About 5-[6-(3-chloroanilino)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide

5-[6-(3-chloroanilino)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide (PubChem CID 5330370) has the molecular formula C20H21ClN6O and a molecular weight of 396.88 g/mol. Its IUPAC name is 5-[6-(3-chloroanilino)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[6-(3-chloroanilino)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
PubChem CID5330370
Molecular FormulaC20H21ClN6O
Molecular Weight396.88 g/mol
Exact Mass396.15
IUPAC Name5-[6-(3-chloroanilino)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
SMILESCN(C)CCNC(=O)c1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C20H21ClN6O/c1-27(2)7-6-24-20(28)15-8-14(10-22-11-15)18-12-23-13-19(26-18)25-17-5-3-4-16(21)9-17/h3-5,8-13H,6-7H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyJOOCYOYATLAZKH-UHFFFAOYSA-N
XLogP3.23
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(3-chloroanilino)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-[6-(3-chloroanilino)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide (CID 5330370) is 5-[6-(3-chloroanilino)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[6-(3-chloroanilino)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[6-(3-chloroanilino)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide is CN(C)CCNC(=O)c1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1.
What is the InChIKey of 5-[6-(3-chloroanilino)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is JOOCYOYATLAZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O/c1-27(2)7-6-24-20(28)15-8-14(10-22-11-15)18-12-23-13-19(26-18)25-17-5-3-4-16(21)9-17/h3-5,8-13H,6-7H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of 5-[6-(3-chloroanilino)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
5-[6-(3-chloroanilino)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3-chloroanilino)pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 5330370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).