5-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrazine-2-carboxamide

C13H23N5O — CID 109271171

IUPAC5-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)NC(=O)c1cnc(NCCCN(C)C)cn1
InChIInChI=1S/C13H23N5O/c1-10(2)17-13(19)11-8-16-12(9-15-11)14-6-5-7-18(3)4/h8-10H,5-7H2,1-4H3,(H,14,16)(H,17,19)
InChIKeyJTSKMNGKQXEPPS-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.98
Rot. Bonds7

About 5-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrazine-2-carboxamide

5-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrazine-2-carboxamide (PubChem CID 109271171) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrazine-2-carboxamide
PubChem CID109271171
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name5-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)NC(=O)c1cnc(NCCCN(C)C)cn1
InChIInChI=1S/C13H23N5O/c1-10(2)17-13(19)11-8-16-12(9-15-11)14-6-5-7-18(3)4/h8-10H,5-7H2,1-4H3,(H,14,16)(H,17,19)
InChIKeyJTSKMNGKQXEPPS-UHFFFAOYSA-N
XLogP0.98
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylamino)propyl]-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277733
5-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272741
5-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277279
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-[2-(dimethylamino)ethylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272739
5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109277924
5-[3-(dimethylamino)propylamino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109277919
5-[3-(dimethylamino)propylamino]-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109277983
N-(2-chlorophenyl)-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277995
5-[3-(dimethylamino)propylamino]-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 109278032
5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271228

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of 5-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrazine-2-carboxamide (CID 109271171) is 5-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 5-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrazine-2-carboxamide is CC(C)NC(=O)c1cnc(NCCCN(C)C)cn1.
What is the InChIKey of 5-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is JTSKMNGKQXEPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-10(2)17-13(19)11-8-16-12(9-15-11)14-6-5-7-18(3)4/h8-10H,5-7H2,1-4H3,(H,14,16)(H,17,19).
What are the key properties of 5-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrazine-2-carboxamide?
5-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.98, 7 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-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 109271171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).