N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide

C14H24N4O — CID 107375562

IUPACN-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCCCC(C)C)cn1
InChIInChI=1S/C14H24N4O/c1-4-7-15-13-10-17-12(9-18-13)14(19)16-8-5-6-11(2)3/h9-11H,4-8H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyQGCOPDSAJJRJTA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.46
Rot. Bonds8

About N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide

N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide (PubChem CID 107375562) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide
PubChem CID107375562
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCCCC(C)C)cn1
InChIInChI=1S/C14H24N4O/c1-4-7-15-13-10-17-12(9-18-13)14(19)16-8-5-6-11(2)3/h9-11H,4-8H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyQGCOPDSAJJRJTA-UHFFFAOYSA-N
XLogP2.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272339
5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272533
N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109270966
N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376964
5-(propylamino)-N-(3-sulfamoylpropyl)pyrazine-2-carboxamide
CID 107374837
5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide
CID 107376665
N-(2-methylpropyl)-5-(pentylamino)pyrazine-2-carboxamide
CID 109272804
N-(3-cyclopentylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 106015585
N-(2-methylpropyl)-N-propan-2-yl-5-(propylamino)pyrazine-2-carboxamide
CID 107375250
N-[3-(dimethylamino)propyl]-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277733
5-(7-methyloctylamino)pyrazine-2-carboxylic acid
CID 107815534
N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide
CID 109272412

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide (CID 107375562) is N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)NCCCC(C)C)cn1.
What is the InChIKey of N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide?
The InChIKey is QGCOPDSAJJRJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-7-15-13-10-17-12(9-18-13)14(19)16-8-5-6-11(2)3/h9-11H,4-8H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide?
N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107375562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).