6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrazine-2-carboxamide

C11H15ClN4O — CID 106551219

IUPAC6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrazine-2-carboxamide
SMILESCN(CCNC(=O)c1cncc(Cl)n1)C1CC1
InChIInChI=1S/C11H15ClN4O/c1-16(8-2-3-8)5-4-14-11(17)9-6-13-7-10(12)15-9/h6-8H,2-5H2,1H3,(H,14,17)
InChIKeyNDEWLMIBXARRJL-UHFFFAOYSA-N
MW254.72 g/mol
LogP0.95
Rot. Bonds5

About 6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrazine-2-carboxamide

6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrazine-2-carboxamide (PubChem CID 106551219) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrazine-2-carboxamide
PubChem CID106551219
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrazine-2-carboxamide
SMILESCN(CCNC(=O)c1cncc(Cl)n1)C1CC1
InChIInChI=1S/C11H15ClN4O/c1-16(8-2-3-8)5-4-14-11(17)9-6-13-7-10(12)15-9/h6-8H,2-5H2,1H3,(H,14,17)
InChIKeyNDEWLMIBXARRJL-UHFFFAOYSA-N
XLogP0.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrazine-2-carboxamide (CID 106551219) is 6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrazine-2-carboxamide is CN(CCNC(=O)c1cncc(Cl)n1)C1CC1.
What is the InChIKey of 6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrazine-2-carboxamide?
The InChIKey is NDEWLMIBXARRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-16(8-2-3-8)5-4-14-11(17)9-6-13-7-10(12)15-9/h6-8H,2-5H2,1H3,(H,14,17).
What are the key properties of 6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrazine-2-carboxamide?
6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrazine-2-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 106551219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).