N-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide

C17H14ClN5O — CID 109283708

IUPACN-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cnc(NCc2ccncc2)cn1
InChIInChI=1S/C17H14ClN5O/c18-13-3-1-2-4-14(13)23-17(24)15-10-22-16(11-20-15)21-9-12-5-7-19-8-6-12/h1-8,10-11H,9H2,(H,21,22)(H,23,24)
InChIKeyKPJKHIOUDXKZDK-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.39
Rot. Bonds5

About N-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide

N-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide (PubChem CID 109283708) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
PubChem CID109283708
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC NameN-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cnc(NCc2ccncc2)cn1
InChIInChI=1S/C17H14ClN5O/c18-13-3-1-2-4-14(13)23-17(24)15-10-22-16(11-20-15)21-9-12-5-7-19-8-6-12/h1-8,10-11H,9H2,(H,21,22)(H,23,24)
InChIKeyKPJKHIOUDXKZDK-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-(2-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283695
N-(2-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374242
5-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrazine-2-carboxamide
CID 109282132
N-(2,6-difluorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283780
N-(2,3-dichlorophenyl)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280745
N-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281781
N-(2-chlorophenyl)-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282336
N-(4-bromophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283719
N-(4-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283696
N-(4-tert-butylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283705
5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109279902
5-(benzylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109279891

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide (CID 109283708) is N-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide is O=C(Nc1ccccc1Cl)c1cnc(NCc2ccncc2)cn1.
What is the InChIKey of N-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide?
The InChIKey is KPJKHIOUDXKZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c18-13-3-1-2-4-14(13)23-17(24)15-10-22-16(11-20-15)21-9-12-5-7-19-8-6-12/h1-8,10-11H,9H2,(H,21,22)(H,23,24).
What are the key properties of N-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide?
N-(2-chlorophenyl)-5-(pyridin-4-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-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109283708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).