N-(5-hydroxypentyl)-N-methyl-5-(propylamino)pyrazine-2-carboxamide

C14H24N4O2 — CID 107377361

IUPACN-(5-hydroxypentyl)-N-methyl-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)N(C)CCCCCO)cn1
InChIInChI=1S/C14H24N4O2/c1-3-7-15-13-11-16-12(10-17-13)14(20)18(2)8-5-4-6-9-19/h10-11,19H,3-9H2,1-2H3,(H,15,17)
InChIKeyAKIKHPVTYNRCIS-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.53
Rot. Bonds9

About N-(5-hydroxypentyl)-N-methyl-5-(propylamino)pyrazine-2-carboxamide

N-(5-hydroxypentyl)-N-methyl-5-(propylamino)pyrazine-2-carboxamide (PubChem CID 107377361) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methyl-5-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methyl-5-(propylamino)pyrazine-2-carboxamide
PubChem CID107377361
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-(5-hydroxypentyl)-N-methyl-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)N(C)CCCCCO)cn1
InChIInChI=1S/C14H24N4O2/c1-3-7-15-13-11-16-12(10-17-13)14(20)18(2)8-5-4-6-9-19/h10-11,19H,3-9H2,1-2H3,(H,15,17)
InChIKeyAKIKHPVTYNRCIS-UHFFFAOYSA-N
XLogP1.53
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-hydroxypentyl)-N-methyl-5-(propylamino)pyrazine-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-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide
CID 109288114
N-methyl-N-(2-methylsulfonylethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376210
N-butyl-N-methyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272998
N-butyl-N-ethyl-5-(propylamino)pyrazine-2-carboxamide
CID 107374046
N-methyl-N-phenyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271049
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107374778
N-(5-hydroxypentyl)-N-methyl-4-(propylamino)benzamide
CID 107201178
N-(5-hydroxypentyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 107201068
N-[3-(dimethylamino)propyl]-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277733
N-(2-hydroxyethyl)-N-methyl-6-(propylamino)pyridine-3-carboxamide
CID 55046985
N-propyl-5-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 107374760
N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109270966

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methyl-5-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methyl-5-(propylamino)pyrazine-2-carboxamide (CID 107377361) is N-(5-hydroxypentyl)-N-methyl-5-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methyl-5-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methyl-5-(propylamino)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)N(C)CCCCCO)cn1.
What is the InChIKey of N-(5-hydroxypentyl)-N-methyl-5-(propylamino)pyrazine-2-carboxamide?
The InChIKey is AKIKHPVTYNRCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-7-15-13-11-16-12(10-17-13)14(20)18(2)8-5-4-6-9-19/h10-11,19H,3-9H2,1-2H3,(H,15,17).
What are the key properties of N-(5-hydroxypentyl)-N-methyl-5-(propylamino)pyrazine-2-carboxamide?
N-(5-hydroxypentyl)-N-methyl-5-(propylamino)pyrazine-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methyl-5-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107377361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).