6-chloro-5-(dimethylamino)-N-pyridin-2-ylpyrazine-2-carboxamide

C12H12ClN5O — CID 11265888

IUPAC6-chloro-5-(dimethylamino)-N-pyridin-2-ylpyrazine-2-carboxamide
SMILESCN(C)c1ncc(C(=O)Nc2ccccn2)nc1Cl
InChIInChI=1S/C12H12ClN5O/c1-18(2)11-10(13)16-8(7-15-11)12(19)17-9-5-3-4-6-14-9/h3-7H,1-2H3,(H,14,17,19)
InChIKeyWHWIRWYESVKFAU-UHFFFAOYSA-N
MW277.72 g/mol
LogP1.84
Rot. Bonds3

About 6-chloro-5-(dimethylamino)-N-pyridin-2-ylpyrazine-2-carboxamide

6-chloro-5-(dimethylamino)-N-pyridin-2-ylpyrazine-2-carboxamide (PubChem CID 11265888) has the molecular formula C12H12ClN5O and a molecular weight of 277.72 g/mol. Its IUPAC name is 6-chloro-5-(dimethylamino)-N-pyridin-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-5-(dimethylamino)-N-pyridin-2-ylpyrazine-2-carboxamide
PubChem CID11265888
Molecular FormulaC12H12ClN5O
Molecular Weight277.72 g/mol
Exact Mass277.07
IUPAC Name6-chloro-5-(dimethylamino)-N-pyridin-2-ylpyrazine-2-carboxamide
SMILESCN(C)c1ncc(C(=O)Nc2ccccn2)nc1Cl
InChIInChI=1S/C12H12ClN5O/c1-18(2)11-10(13)16-8(7-15-11)12(19)17-9-5-3-4-6-14-9/h3-7H,1-2H3,(H,14,17,19)
InChIKeyWHWIRWYESVKFAU-UHFFFAOYSA-N
XLogP1.84
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(dimethylamino)-N-pyridin-2-ylpyrazine-2-carboxamide?
The IUPAC name of 6-chloro-5-(dimethylamino)-N-pyridin-2-ylpyrazine-2-carboxamide (CID 11265888) is 6-chloro-5-(dimethylamino)-N-pyridin-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-5-(dimethylamino)-N-pyridin-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-5-(dimethylamino)-N-pyridin-2-ylpyrazine-2-carboxamide is CN(C)c1ncc(C(=O)Nc2ccccn2)nc1Cl.
What is the InChIKey of 6-chloro-5-(dimethylamino)-N-pyridin-2-ylpyrazine-2-carboxamide?
The InChIKey is WHWIRWYESVKFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O/c1-18(2)11-10(13)16-8(7-15-11)12(19)17-9-5-3-4-6-14-9/h3-7H,1-2H3,(H,14,17,19).
What are the key properties of 6-chloro-5-(dimethylamino)-N-pyridin-2-ylpyrazine-2-carboxamide?
6-chloro-5-(dimethylamino)-N-pyridin-2-ylpyrazine-2-carboxamide has a molecular weight of 277.72 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(dimethylamino)-N-pyridin-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 11265888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).