N-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide

C13H22N4O — CID 109272339

IUPACN-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
SMILESCCCCNC(=O)c1cnc(NCC(C)C)cn1
InChIInChI=1S/C13H22N4O/c1-4-5-6-14-13(18)11-8-17-12(9-15-11)16-7-10(2)3/h8-10H,4-7H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyNAKHFEDQTBBSDS-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.07
Rot. Bonds7

About N-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide

N-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide (PubChem CID 109272339) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
PubChem CID109272339
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
SMILESCCCCNC(=O)c1cnc(NCC(C)C)cn1
InChIInChI=1S/C13H22N4O/c1-4-5-6-14-13(18)11-8-17-12(9-15-11)16-7-10(2)3/h8-10H,4-7H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyNAKHFEDQTBBSDS-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'}

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Related Compounds

5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272533
N-(2-methylpropyl)-5-(pentylamino)pyrazine-2-carboxamide
CID 109272804
N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375562
N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide
CID 109272412
N-butyl-N-methyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272998
N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272973
5-(2-methylpropylamino)-N-pentylpyridine-2-carboxamide
CID 109181275
5-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272741
N-butyl-5-[2,6-di(propan-2-yl)anilino]pyrazine-2-carboxamide
CID 109272506
5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide
CID 107376665
5-[2-(dimethylamino)ethylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272739
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide?
The IUPAC name of N-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide (CID 109272339) is N-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide is CCCCNC(=O)c1cnc(NCC(C)C)cn1.
What is the InChIKey of N-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide?
The InChIKey is NAKHFEDQTBBSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-5-6-14-13(18)11-8-17-12(9-15-11)16-7-10(2)3/h8-10H,4-7H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of N-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide?
N-butyl-5-(2-methylpropylamino)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 N-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109272339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).