5-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide

C14H25N5O — CID 109272741

IUPAC5-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCC(C)CNC(=O)c1cnc(NCCCN(C)C)cn1
InChIInChI=1S/C14H25N5O/c1-11(2)8-18-14(20)12-9-17-13(10-16-12)15-6-5-7-19(3)4/h9-11H,5-8H2,1-4H3,(H,15,17)(H,18,20)
InChIKeyKTSNSUOLURJONR-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.23
Rot. Bonds8

About 5-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide

5-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide (PubChem CID 109272741) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
PubChem CID109272741
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name5-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCC(C)CNC(=O)c1cnc(NCCCN(C)C)cn1
InChIInChI=1S/C14H25N5O/c1-11(2)8-18-14(20)12-9-17-13(10-16-12)15-6-5-7-19(3)4/h9-11H,5-8H2,1-4H3,(H,15,17)(H,18,20)
InChIKeyKTSNSUOLURJONR-UHFFFAOYSA-N
XLogP1.23
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(dimethylamino)ethylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272739
N-[3-(dimethylamino)propyl]-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277733
5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272533
N-(2-methylpropyl)-5-(pentylamino)pyrazine-2-carboxamide
CID 109272804
5-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271171
5-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277279
6-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111167
N-[3-(dimethylamino)propyl]-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109275842
N-[2-(dimethylamino)ethyl]-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276206
5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109277924
N-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272339
5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109277919

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide (CID 109272741) is 5-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide is CC(C)CNC(=O)c1cnc(NCCCN(C)C)cn1.
What is the InChIKey of 5-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide?
The InChIKey is KTSNSUOLURJONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-11(2)8-18-14(20)12-9-17-13(10-16-12)15-6-5-7-19(3)4/h9-11H,5-8H2,1-4H3,(H,15,17)(H,18,20).
What are the key properties of 5-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide?
5-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109272741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).