5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide

C15H26N4O — CID 107376665

IUPAC5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCC(C)C(C)(C)C)cn1
InChIInChI=1S/C15H26N4O/c1-6-7-16-13-10-17-12(9-18-13)14(20)19-8-11(2)15(3,4)5/h9-11H,6-8H2,1-5H3,(H,16,18)(H,19,20)
InChIKeySDIXBCMQGCHCFT-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.71
Rot. Bonds6

About 5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide

5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide (PubChem CID 107376665) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide
PubChem CID107376665
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCC(C)C(C)(C)C)cn1
InChIInChI=1S/C15H26N4O/c1-6-7-16-13-10-17-12(9-18-13)14(20)19-8-11(2)15(3,4)5/h9-11H,6-8H2,1-5H3,(H,16,18)(H,19,20)
InChIKeySDIXBCMQGCHCFT-UHFFFAOYSA-N
XLogP2.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272533
N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376964
N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375562
N-(2-methylpropyl)-5-(pentylamino)pyrazine-2-carboxamide
CID 109272804
5-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2-carboxamide
CID 107377215
N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109270966
N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376810
N-(2-ethoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107377139
N-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374127
N-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272339
5-[2-(dimethylamino)ethylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272739
N-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374667

Frequently Asked Questions

What is the IUPAC name of 5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide (CID 107376665) is 5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)NCC(C)C(C)(C)C)cn1.
What is the InChIKey of 5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide?
The InChIKey is SDIXBCMQGCHCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-6-7-16-13-10-17-12(9-18-13)14(20)19-8-11(2)15(3,4)5/h9-11H,6-8H2,1-5H3,(H,16,18)(H,19,20).
What are the key properties of 5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide?
5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107376665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).