5-amino-N-(4-propan-2-yloxybutyl)pyrazine-2-carboxamide

C12H20N4O2 — CID 114137453

IUPAC5-amino-N-(4-propan-2-yloxybutyl)pyrazine-2-carboxamide
SMILESCC(C)OCCCCNC(=O)c1cnc(N)cn1
InChIInChI=1S/C12H20N4O2/c1-9(2)18-6-4-3-5-14-12(17)10-7-16-11(13)8-15-10/h7-9H,3-6H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyPSYBLXRCYRKDDS-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.99
Rot. Bonds7

About 5-amino-N-(4-propan-2-yloxybutyl)pyrazine-2-carboxamide

5-amino-N-(4-propan-2-yloxybutyl)pyrazine-2-carboxamide (PubChem CID 114137453) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-amino-N-(4-propan-2-yloxybutyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-propan-2-yloxybutyl)pyrazine-2-carboxamide
PubChem CID114137453
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-amino-N-(4-propan-2-yloxybutyl)pyrazine-2-carboxamide
SMILESCC(C)OCCCCNC(=O)c1cnc(N)cn1
InChIInChI=1S/C12H20N4O2/c1-9(2)18-6-4-3-5-14-12(17)10-7-16-11(13)8-15-10/h7-9H,3-6H2,1-2H3,(H2,13,16)(H,14,17)
InChIKeyPSYBLXRCYRKDDS-UHFFFAOYSA-N
XLogP0.99
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.99
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-amino-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide
CID 106006135
2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015103
6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid
CID 14210559
2-amino-5-nitro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 104600910
2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 114137448
5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 113382032
5-amino-N-(2-sulfamoylethyl)pyrazine-2-carboxamide
CID 107374558
3-amino-5-methyl-N-(4-propan-2-yloxybutyl)benzamide
CID 106006167
5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide
CID 106006184
5-amino-N-(4-methoxy-2,2-dimethylbutyl)pyrazine-2-carboxamide
CID 114126503
5-methyl-N-[6-[(5-methylpyrazine-2-carbonyl)amino]hexyl]pyrazine-2-carboxamide
CID 4963664
3-bromo-N-(4-propan-2-yloxybutyl)pyridine-2-carboxamide
CID 114078850

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-propan-2-yloxybutyl)pyrazine-2-carboxamide?
The IUPAC name of 5-amino-N-(4-propan-2-yloxybutyl)pyrazine-2-carboxamide (CID 114137453) is 5-amino-N-(4-propan-2-yloxybutyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(4-propan-2-yloxybutyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-amino-N-(4-propan-2-yloxybutyl)pyrazine-2-carboxamide is CC(C)OCCCCNC(=O)c1cnc(N)cn1.
What is the InChIKey of 5-amino-N-(4-propan-2-yloxybutyl)pyrazine-2-carboxamide?
The InChIKey is PSYBLXRCYRKDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(2)18-6-4-3-5-14-12(17)10-7-16-11(13)8-15-10/h7-9H,3-6H2,1-2H3,(H2,13,16)(H,14,17).
What are the key properties of 5-amino-N-(4-propan-2-yloxybutyl)pyrazine-2-carboxamide?
5-amino-N-(4-propan-2-yloxybutyl)pyrazine-2-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-propan-2-yloxybutyl)pyrazine-2-carboxamide is sourced from PubChem (CID 114137453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).