6-chloro-3-(methylamino)-N-pyridin-2-ylpyrazine-2-carboxamide

C11H10ClN5O — CID 11334544

IUPAC6-chloro-3-(methylamino)-N-pyridin-2-ylpyrazine-2-carboxamide
SMILESCNc1ncc(Cl)nc1C(=O)Nc1ccccn1
InChIInChI=1S/C11H10ClN5O/c1-13-10-9(16-7(12)6-15-10)11(18)17-8-4-2-3-5-14-8/h2-6H,1H3,(H,13,15)(H,14,17,18)
InChIKeyTXIAGDTYGRTGNY-UHFFFAOYSA-N
MW263.69 g/mol
LogP1.82
Rot. Bonds3

About 6-chloro-3-(methylamino)-N-pyridin-2-ylpyrazine-2-carboxamide

6-chloro-3-(methylamino)-N-pyridin-2-ylpyrazine-2-carboxamide (PubChem CID 11334544) has the molecular formula C11H10ClN5O and a molecular weight of 263.69 g/mol. Its IUPAC name is 6-chloro-3-(methylamino)-N-pyridin-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-(methylamino)-N-pyridin-2-ylpyrazine-2-carboxamide
PubChem CID11334544
Molecular FormulaC11H10ClN5O
Molecular Weight263.69 g/mol
Exact Mass263.06
IUPAC Name6-chloro-3-(methylamino)-N-pyridin-2-ylpyrazine-2-carboxamide
SMILESCNc1ncc(Cl)nc1C(=O)Nc1ccccn1
InChIInChI=1S/C11H10ClN5O/c1-13-10-9(16-7(12)6-15-10)11(18)17-8-4-2-3-5-14-8/h2-6H,1H3,(H,13,15)(H,14,17,18)
InChIKeyTXIAGDTYGRTGNY-UHFFFAOYSA-N
XLogP1.82
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(methylamino)-N-pyridin-2-ylpyrazine-2-carboxamide?
The IUPAC name of 6-chloro-3-(methylamino)-N-pyridin-2-ylpyrazine-2-carboxamide (CID 11334544) is 6-chloro-3-(methylamino)-N-pyridin-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-3-(methylamino)-N-pyridin-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-3-(methylamino)-N-pyridin-2-ylpyrazine-2-carboxamide is CNc1ncc(Cl)nc1C(=O)Nc1ccccn1.
What is the InChIKey of 6-chloro-3-(methylamino)-N-pyridin-2-ylpyrazine-2-carboxamide?
The InChIKey is TXIAGDTYGRTGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O/c1-13-10-9(16-7(12)6-15-10)11(18)17-8-4-2-3-5-14-8/h2-6H,1H3,(H,13,15)(H,14,17,18).
What are the key properties of 6-chloro-3-(methylamino)-N-pyridin-2-ylpyrazine-2-carboxamide?
6-chloro-3-(methylamino)-N-pyridin-2-ylpyrazine-2-carboxamide has a molecular weight of 263.69 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(methylamino)-N-pyridin-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 11334544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).