3,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide

C11H10Cl2N4O — CID 43547698

IUPAC3,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H10Cl2N4O/c1-5-9(6(2)17-16-5)15-11(18)10-7(12)3-4-8(13)14-10/h3-4H,1-2H3,(H,15,18)(H,16,17)
InChIKeyYETYOAWKCNVLJY-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.98
Rot. Bonds2

About 3,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide

3,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 43547698) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is 3,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide
PubChem CID43547698
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name3,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H10Cl2N4O/c1-5-9(6(2)17-16-5)15-11(18)10-7(12)3-4-8(13)14-10/h3-4H,1-2H3,(H,15,18)(H,16,17)
InChIKeyYETYOAWKCNVLJY-UHFFFAOYSA-N
XLogP2.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 43547698) is 3,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide is Cc1n[nH]c(C)c1NC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is YETYOAWKCNVLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c1-5-9(6(2)17-16-5)15-11(18)10-7(12)3-4-8(13)14-10/h3-4H,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 3,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide?
3,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 285.13 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 43547698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).