5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide

C16H22N6O — CID 109277924

IUPAC5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
SMILESCN(C)CCCNc1cnc(C(=O)NCc2ccncc2)cn1
InChIInChI=1S/C16H22N6O/c1-22(2)9-3-6-18-15-12-19-14(11-20-15)16(23)21-10-13-4-7-17-8-5-13/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,18,20)(H,21,23)
InChIKeyXXKRWRNHVBBYRG-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.17
Rot. Bonds8

About 5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide

5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide (PubChem CID 109277924) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
PubChem CID109277924
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
SMILESCN(C)CCCNc1cnc(C(=O)NCc2ccncc2)cn1
InChIInChI=1S/C16H22N6O/c1-22(2)9-3-6-18-15-12-19-14(11-20-15)16(23)21-10-13-4-7-17-8-5-13/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,18,20)(H,21,23)
InChIKeyXXKRWRNHVBBYRG-UHFFFAOYSA-N
XLogP1.17
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(butylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109272569
5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109277919
N-[3-(dimethylamino)propyl]-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277733
5-(benzylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277739
5-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277279
5-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272741
5-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271171
5-[3-(dimethylamino)propylamino]-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109277983
5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109229913
N-[3-(dimethylamino)propyl]-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109275842
N-[2-(dimethylamino)ethyl]-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276206
N-(2-chlorophenyl)-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277995

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide (CID 109277924) is 5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide is CN(C)CCCNc1cnc(C(=O)NCc2ccncc2)cn1.
What is the InChIKey of 5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is XXKRWRNHVBBYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-22(2)9-3-6-18-15-12-19-14(11-20-15)16(23)21-10-13-4-7-17-8-5-13/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,18,20)(H,21,23).
What are the key properties of 5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide?
5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109277924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).