6-chloro-N-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide

C11H16ClN3O — CID 106551043

IUPAC6-chloro-N-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide
SMILESCC(C)CCN(C)C(=O)c1cncc(Cl)n1
InChIInChI=1S/C11H16ClN3O/c1-8(2)4-5-15(3)11(16)9-6-13-7-10(12)14-9/h6-8H,4-5H2,1-3H3
InChIKeyDTJAIXJHICKXHE-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.25
Rot. Bonds4

About 6-chloro-N-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide

6-chloro-N-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide (PubChem CID 106551043) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide
PubChem CID106551043
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name6-chloro-N-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide
SMILESCC(C)CCN(C)C(=O)c1cncc(Cl)n1
InChIInChI=1S/C11H16ClN3O/c1-8(2)4-5-15(3)11(16)9-6-13-7-10(12)14-9/h6-8H,4-5H2,1-3H3
InChIKeyDTJAIXJHICKXHE-UHFFFAOYSA-N
XLogP2.25
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-methyl-N-prop-2-ynylpyrazine-2-carboxamide
CID 106551756
methyl 3-[(6-chloropyrazine-2-carbonyl)-(2-methylpropyl)amino]propanoate
CID 103337286
6-chloro-N,N-dipropylpyrazine-2-carboxamide
CID 103186958
6-chloro-N-methyl-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 103336949
6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazine-2-carboxamide
CID 106551582
6-chloro-N,N-bis(3-methylbutyl)pyridine-2-carboxamide
CID 62234181
6-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyrazine-2-carboxamide
CID 106551556
6-chloro-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2-carboxamide
CID 103186784
6-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 106551027
2-N,6-N-bis(2,3-dihydroxypropyl)-2-N,6-N-dimethylpyrazine-2,6-dicarboxamide
CID 22457886
6-chloro-N-cyclopropyl-N-methylpyrazine-2-carboxamide
CID 103187185
N-methyl-N-(3-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498349

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide (CID 106551043) is 6-chloro-N-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide is CC(C)CCN(C)C(=O)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide?
The InChIKey is DTJAIXJHICKXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8(2)4-5-15(3)11(16)9-6-13-7-10(12)14-9/h6-8H,4-5H2,1-3H3.
What are the key properties of 6-chloro-N-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide?
6-chloro-N-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide is sourced from PubChem (CID 106551043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).