N-butyl-5-chloro-N-methylpyrazine-2-carboxamide

C10H14ClN3O — CID 103803325

IUPACN-butyl-5-chloro-N-methylpyrazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C10H14ClN3O/c1-3-4-5-14(2)10(15)8-6-13-9(11)7-12-8/h6-7H,3-5H2,1-2H3
InChIKeySUQGCHCDINMJIW-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.00
Rot. Bonds4

About N-butyl-5-chloro-N-methylpyrazine-2-carboxamide

N-butyl-5-chloro-N-methylpyrazine-2-carboxamide (PubChem CID 103803325) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is N-butyl-5-chloro-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-chloro-N-methylpyrazine-2-carboxamide
PubChem CID103803325
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC NameN-butyl-5-chloro-N-methylpyrazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C10H14ClN3O/c1-3-4-5-14(2)10(15)8-6-13-9(11)7-12-8/h6-7H,3-5H2,1-2H3
InChIKeySUQGCHCDINMJIW-UHFFFAOYSA-N
XLogP2.00
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
CID 103803319
5-chloro-N-heptyl-N-(3-hydroxypropyl)pyrazine-2-carboxamide
CID 107258440
N-butyl-N-methyl-5-(pentylamino)pyrazine-2-carboxamide
CID 109288114
5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide
CID 103803146
N-butyl-N-methyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272998
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228
N-butyl-5-(2,3-dichloroanilino)-N-methylpyrazine-2-carboxamide
CID 109288331
N-butyl-5-(4-chloro-2-methylanilino)-N-methylpyrazine-2-carboxamide
CID 109288269
N-butyl-N-methyl-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276632
N-butyl-5-(4-chloro-2,5-dimethoxyanilino)-N-methylpyrazine-2-carboxamide
CID 109288332
N-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285072
2-[(5-chloropyrazine-2-carbonyl)-methylamino]butanoic acid
CID 107371495

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-chloro-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-butyl-5-chloro-N-methylpyrazine-2-carboxamide (CID 103803325) is N-butyl-5-chloro-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-butyl-5-chloro-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-butyl-5-chloro-N-methylpyrazine-2-carboxamide is CCCCN(C)C(=O)c1cnc(Cl)cn1.
What is the InChIKey of N-butyl-5-chloro-N-methylpyrazine-2-carboxamide?
The InChIKey is SUQGCHCDINMJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-3-4-5-14(2)10(15)8-6-13-9(11)7-12-8/h6-7H,3-5H2,1-2H3.
What are the key properties of N-butyl-5-chloro-N-methylpyrazine-2-carboxamide?
N-butyl-5-chloro-N-methylpyrazine-2-carboxamide has a molecular weight of 227.69 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-chloro-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 103803325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).