3-amino-6-chloro-5-(dimethylamino)-N-pyridin-3-ylpyrazine-2-carboxamide

C12H13ClN6O — CID 16759169

IUPAC3-amino-6-chloro-5-(dimethylamino)-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)Nc2cccnc2)nc1Cl
InChIInChI=1S/C12H13ClN6O/c1-19(2)11-9(13)17-8(10(14)18-11)12(20)16-7-4-3-5-15-6-7/h3-6H,1-2H3,(H2,14,18)(H,16,20)
InChIKeyRNGRUHWJJPTYNR-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.43
Rot. Bonds3

About 3-amino-6-chloro-5-(dimethylamino)-N-pyridin-3-ylpyrazine-2-carboxamide

3-amino-6-chloro-5-(dimethylamino)-N-pyridin-3-ylpyrazine-2-carboxamide (PubChem CID 16759169) has the molecular formula C12H13ClN6O and a molecular weight of 292.73 g/mol. Its IUPAC name is 3-amino-6-chloro-5-(dimethylamino)-N-pyridin-3-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-5-(dimethylamino)-N-pyridin-3-ylpyrazine-2-carboxamide
PubChem CID16759169
Molecular FormulaC12H13ClN6O
Molecular Weight292.73 g/mol
Exact Mass292.08
IUPAC Name3-amino-6-chloro-5-(dimethylamino)-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)Nc2cccnc2)nc1Cl
InChIInChI=1S/C12H13ClN6O/c1-19(2)11-9(13)17-8(10(14)18-11)12(20)16-7-4-3-5-15-6-7/h3-6H,1-2H3,(H2,14,18)(H,16,20)
InChIKeyRNGRUHWJJPTYNR-UHFFFAOYSA-N
XLogP1.43
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-5-(dimethylamino)-N-pyridin-3-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-5-(dimethylamino)-N-pyridin-3-ylpyrazine-2-carboxamide (CID 16759169) is 3-amino-6-chloro-5-(dimethylamino)-N-pyridin-3-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-5-(dimethylamino)-N-pyridin-3-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-5-(dimethylamino)-N-pyridin-3-ylpyrazine-2-carboxamide is CN(C)c1nc(N)c(C(=O)Nc2cccnc2)nc1Cl.
What is the InChIKey of 3-amino-6-chloro-5-(dimethylamino)-N-pyridin-3-ylpyrazine-2-carboxamide?
The InChIKey is RNGRUHWJJPTYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN6O/c1-19(2)11-9(13)17-8(10(14)18-11)12(20)16-7-4-3-5-15-6-7/h3-6H,1-2H3,(H2,14,18)(H,16,20).
What are the key properties of 3-amino-6-chloro-5-(dimethylamino)-N-pyridin-3-ylpyrazine-2-carboxamide?
3-amino-6-chloro-5-(dimethylamino)-N-pyridin-3-ylpyrazine-2-carboxamide has a molecular weight of 292.73 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-5-(dimethylamino)-N-pyridin-3-ylpyrazine-2-carboxamide is sourced from PubChem (CID 16759169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).