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

C19H19N5O — CID 109283696

IUPACN-(4-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(NCc3ccncc3)cn2)cc1
InChIInChI=1S/C19H19N5O/c1-2-14-3-5-16(6-4-14)24-19(25)17-12-23-18(13-21-17)22-11-15-7-9-20-10-8-15/h3-10,12-13H,2,11H2,1H3,(H,22,23)(H,24,25)
InChIKeyNCIVLMINYHRAAA-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.30
Rot. Bonds6

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

N-(4-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide (PubChem CID 109283696) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
PubChem CID109283696
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN-(4-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(NCc3ccncc3)cn2)cc1
InChIInChI=1S/C19H19N5O/c1-2-14-3-5-16(6-4-14)24-19(25)17-12-23-18(13-21-17)22-11-15-7-9-20-10-8-15/h3-10,12-13H,2,11H2,1H3,(H,22,23)(H,24,25)
InChIKeyNCIVLMINYHRAAA-UHFFFAOYSA-N
XLogP3.30
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283705
N-(4-bromophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283719
N-(2-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283695
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-(4-ethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276292
N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282564
5-[3-(dimethylamino)propylamino]-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109277983
5-[(4-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281758
N-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283708
N-(2,6-difluorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283780
N-(4-acetylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282562

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide (CID 109283696) is N-(4-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide is CCc1ccc(NC(=O)c2cnc(NCc3ccncc3)cn2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide?
The InChIKey is NCIVLMINYHRAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-2-14-3-5-16(6-4-14)24-19(25)17-12-23-18(13-21-17)22-11-15-7-9-20-10-8-15/h3-10,12-13H,2,11H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-(4-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide?
N-(4-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109283696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).