N-butyl-3-methylpyrazine-2-carboxamide

C10H15N3O — CID 130272239

IUPACN-butyl-3-methylpyrazine-2-carboxamide
SMILESCCCCNC(=O)c1nccnc1C
InChIInChI=1S/C10H15N3O/c1-3-4-5-13-10(14)9-8(2)11-6-7-12-9/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyLNVLCBIZLFAQQU-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.31
Rot. Bonds4

About N-butyl-3-methylpyrazine-2-carboxamide

N-butyl-3-methylpyrazine-2-carboxamide (PubChem CID 130272239) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-butyl-3-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-3-methylpyrazine-2-carboxamide
PubChem CID130272239
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-butyl-3-methylpyrazine-2-carboxamide
SMILESCCCCNC(=O)c1nccnc1C
InChIInChI=1S/C10H15N3O/c1-3-4-5-13-10(14)9-8(2)11-6-7-12-9/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyLNVLCBIZLFAQQU-UHFFFAOYSA-N
XLogP1.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-hexylpyrazine-2-carboxamide
CID 32647019
3-N-dodecylpyrazine-2,3-dicarboxamide
CID 66771838
N-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110848200
N-hexyl-2-methylpyridine-3-carboxamide
CID 67377746
N-butylpyridine-4-carboxamide
CID 5030535
2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
4-N,5-N-dibutyl-1H-imidazole-4,5-dicarboxamide
CID 551896
N-butyl-5-chloro-2-methylsulfonylpyrimidine-4-carboxamide
CID 19155007
1-butyl-3-(2-methyl-3-pyridinyl)urea
CID 115667861
6-amino-N-butylisoquinoline-1-carboxamide
CID 82571716
bis(3-methylpyrazin-2-yl)methanone
CID 69473088

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-methylpyrazine-2-carboxamide?
The IUPAC name of N-butyl-3-methylpyrazine-2-carboxamide (CID 130272239) is N-butyl-3-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-butyl-3-methylpyrazine-2-carboxamide?
The canonical SMILES for N-butyl-3-methylpyrazine-2-carboxamide is CCCCNC(=O)c1nccnc1C.
What is the InChIKey of N-butyl-3-methylpyrazine-2-carboxamide?
The InChIKey is LNVLCBIZLFAQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-3-4-5-13-10(14)9-8(2)11-6-7-12-9/h6-7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of N-butyl-3-methylpyrazine-2-carboxamide?
N-butyl-3-methylpyrazine-2-carboxamide has a molecular weight of 193.25 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-methylpyrazine-2-carboxamide is sourced from PubChem (CID 130272239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).