N-(3-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide

C17H14ClN5O — CID 109283424

IUPACN-(3-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cnc(NCc2cccnc2)cn1
InChIInChI=1S/C17H14ClN5O/c18-13-4-1-5-14(7-13)23-17(24)15-10-22-16(11-20-15)21-9-12-3-2-6-19-8-12/h1-8,10-11H,9H2,(H,21,22)(H,23,24)
InChIKeyLTFYZXDZSLDRHO-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.39
Rot. Bonds5

About N-(3-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide

N-(3-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide (PubChem CID 109283424) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
PubChem CID109283424
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC NameN-(3-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cnc(NCc2cccnc2)cn1
InChIInChI=1S/C17H14ClN5O/c18-13-4-1-5-14(7-13)23-17(24)15-10-22-16(11-20-15)21-9-12-3-2-6-19-8-12/h1-8,10-11H,9H2,(H,21,22)(H,23,24)
InChIKeyLTFYZXDZSLDRHO-UHFFFAOYSA-N
XLogP3.39
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283399
N-(3-chlorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259024
N-(3-bromo-4-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283435
N-(3-chlorophenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281944
N-(3-chlorophenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272257
N-(2-chloro-4,6-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283431
5-[(3-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109280368
N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109282153
N-(3,5-dichlorophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121070
2,4-dichloro-N-[3-(pyridin-3-ylmethylamino)phenyl]benzamide
CID 1254200
N-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280431
5-(3-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283309

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide (CID 109283424) is N-(3-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide is O=C(Nc1cccc(Cl)c1)c1cnc(NCc2cccnc2)cn1.
What is the InChIKey of N-(3-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide?
The InChIKey is LTFYZXDZSLDRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c18-13-4-1-5-14(7-13)23-17(24)15-10-22-16(11-20-15)21-9-12-3-2-6-19-8-12/h1-8,10-11H,9H2,(H,21,22)(H,23,24).
What are the key properties of N-(3-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide?
N-(3-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide has a molecular weight of 339.79 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109283424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).