5-[butyl(methyl)amino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide

C16H21N5O — CID 109282959

IUPAC5-[butyl(methyl)amino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
SMILESCCCCN(C)c1cnc(C(=O)NCc2ccccn2)cn1
InChIInChI=1S/C16H21N5O/c1-3-4-9-21(2)15-12-18-14(11-19-15)16(22)20-10-13-7-5-6-8-17-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,22)
InChIKeyPDUBQXUBVGGSIQ-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.04
Rot. Bonds7

About 5-[butyl(methyl)amino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide

5-[butyl(methyl)amino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide (PubChem CID 109282959) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-[butyl(methyl)amino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[butyl(methyl)amino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
PubChem CID109282959
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name5-[butyl(methyl)amino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
SMILESCCCCN(C)c1cnc(C(=O)NCc2ccccn2)cn1
InChIInChI=1S/C16H21N5O/c1-3-4-9-21(2)15-12-18-14(11-19-15)16(22)20-10-13-7-5-6-8-17-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,22)
InChIKeyPDUBQXUBVGGSIQ-UHFFFAOYSA-N
XLogP2.04
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(diethylamino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282951
5-[butyl(methyl)amino]-N-(2-tert-butylphenyl)pyrazine-2-carboxamide
CID 109288374
2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094229
N'-butyl-N'-methyl-N-(pyridin-2-ylmethyl)oxamide
CID 108518361
N-(pyridin-2-ylmethyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109282922
N-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283102
5-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109288370
6-[butyl(methyl)amino]-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
CID 54759471
2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093458
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282934
2-(butylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109296339
N-propyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109270793

Frequently Asked Questions

What is the IUPAC name of 5-[butyl(methyl)amino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[butyl(methyl)amino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide (CID 109282959) is 5-[butyl(methyl)amino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[butyl(methyl)amino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[butyl(methyl)amino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide is CCCCN(C)c1cnc(C(=O)NCc2ccccn2)cn1.
What is the InChIKey of 5-[butyl(methyl)amino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is PDUBQXUBVGGSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-3-4-9-21(2)15-12-18-14(11-19-15)16(22)20-10-13-7-5-6-8-17-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,22).
What are the key properties of 5-[butyl(methyl)amino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide?
5-[butyl(methyl)amino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(methyl)amino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109282959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).