5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide

C13H22N4O — CID 109272533

IUPAC5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCCCCNc1cnc(C(=O)NCC(C)C)cn1
InChIInChI=1S/C13H22N4O/c1-4-5-6-14-12-9-15-11(8-16-12)13(18)17-7-10(2)3/h8-10H,4-7H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyKTOJYXYXMQIYKD-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.07
Rot. Bonds7

About 5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide

5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide (PubChem CID 109272533) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide
PubChem CID109272533
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCCCCNc1cnc(C(=O)NCC(C)C)cn1
InChIInChI=1S/C13H22N4O/c1-4-5-6-14-12-9-15-11(8-16-12)13(18)17-7-10(2)3/h8-10H,4-7H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyKTOJYXYXMQIYKD-UHFFFAOYSA-N
XLogP2.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(butylamino)-N-(2-methylpropyl)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-(2-methylpropyl)-5-(pentylamino)pyrazine-2-carboxamide
CID 109272804
N-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272339
5-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272741
5-[2-(dimethylamino)ethylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272739
5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide
CID 107376665
N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375562
5-(butylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109272569
methyl 5-(butylamino)pyrazine-2-carboxylate
CID 68565370
5-[(4-methylphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272750
N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide
CID 109272412
5-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2-carboxamide
CID 107377215
2-(butylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165522

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide (CID 109272533) is 5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide is CCCCNc1cnc(C(=O)NCC(C)C)cn1.
What is the InChIKey of 5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide?
The InChIKey is KTOJYXYXMQIYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-5-6-14-12-9-15-11(8-16-12)13(18)17-7-10(2)3/h8-10H,4-7H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide?
5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109272533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).