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

C17H14BrN5O — CID 109283719

IUPACN-(4-bromophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cnc(NCc2ccncc2)cn1
InChIInChI=1S/C17H14BrN5O/c18-13-1-3-14(4-2-13)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)
InChIKeyZCVSEOIYONNBBY-UHFFFAOYSA-N
MW384.24 g/mol
LogP3.50
Rot. Bonds5

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

N-(4-bromophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide (PubChem CID 109283719) has the molecular formula C17H14BrN5O and a molecular weight of 384.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
PubChem CID109283719
Molecular FormulaC17H14BrN5O
Molecular Weight384.24 g/mol
Exact Mass383.04
IUPAC NameN-(4-bromophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cnc(NCc2ccncc2)cn1
InChIInChI=1S/C17H14BrN5O/c18-13-1-3-14(4-2-13)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)
InChIKeyZCVSEOIYONNBBY-UHFFFAOYSA-N
XLogP3.50
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(pyridin-4-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 109283745
N-(4-piperidin-1-ylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283746
N-(2,6-difluorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283780
N-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283708
N-(4-bromophenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374238
N-(4-bromophenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107377733
N-(3-bromo-4-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283435
N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191663
N-(2-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283695
5-[(4-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281758

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide (CID 109283719) is N-(4-bromophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide is O=C(Nc1ccc(Br)cc1)c1cnc(NCc2ccncc2)cn1.
What is the InChIKey of N-(4-bromophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide?
The InChIKey is ZCVSEOIYONNBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5O/c18-13-1-3-14(4-2-13)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-(4-bromophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide?
N-(4-bromophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide has a molecular weight of 384.24 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109283719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).