2-(3-chloro-5-methyl-2-pyridinyl)-N-methoxy-N-methyltriazole-4-carboxamide

C11H12ClN5O2 — CID 165087809

IUPAC2-(3-chloro-5-methyl-2-pyridinyl)-N-methoxy-N-methyltriazole-4-carboxamide
SMILESCON(C)C(=O)c1cnn(-c2ncc(C)cc2Cl)n1
InChIInChI=1S/C11H12ClN5O2/c1-7-4-8(12)10(13-5-7)17-14-6-9(15-17)11(18)16(2)19-3/h4-6H,1-3H3
InChIKeyCGRRQPGAARBMDG-UHFFFAOYSA-N
MW281.70 g/mol
LogP1.26
Rot. Bonds3

About 2-(3-chloro-5-methyl-2-pyridinyl)-N-methoxy-N-methyltriazole-4-carboxamide

2-(3-chloro-5-methyl-2-pyridinyl)-N-methoxy-N-methyltriazole-4-carboxamide (PubChem CID 165087809) has the molecular formula C11H12ClN5O2 and a molecular weight of 281.70 g/mol. Its IUPAC name is 2-(3-chloro-5-methyl-2-pyridinyl)-N-methoxy-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-5-methyl-2-pyridinyl)-N-methoxy-N-methyltriazole-4-carboxamide
PubChem CID165087809
Molecular FormulaC11H12ClN5O2
Molecular Weight281.70 g/mol
Exact Mass281.07
IUPAC Name2-(3-chloro-5-methyl-2-pyridinyl)-N-methoxy-N-methyltriazole-4-carboxamide
SMILESCON(C)C(=O)c1cnn(-c2ncc(C)cc2Cl)n1
InChIInChI=1S/C11H12ClN5O2/c1-7-4-8(12)10(13-5-7)17-14-6-9(15-17)11(18)16(2)19-3/h4-6H,1-3H3
InChIKeyCGRRQPGAARBMDG-UHFFFAOYSA-N
XLogP1.26
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-methyl-2-pyridinyl)-N-methoxy-N-methyltriazole-4-carboxamide?
The IUPAC name of 2-(3-chloro-5-methyl-2-pyridinyl)-N-methoxy-N-methyltriazole-4-carboxamide (CID 165087809) is 2-(3-chloro-5-methyl-2-pyridinyl)-N-methoxy-N-methyltriazole-4-carboxamide.
What is the SMILES notation for 2-(3-chloro-5-methyl-2-pyridinyl)-N-methoxy-N-methyltriazole-4-carboxamide?
The canonical SMILES for 2-(3-chloro-5-methyl-2-pyridinyl)-N-methoxy-N-methyltriazole-4-carboxamide is CON(C)C(=O)c1cnn(-c2ncc(C)cc2Cl)n1.
What is the InChIKey of 2-(3-chloro-5-methyl-2-pyridinyl)-N-methoxy-N-methyltriazole-4-carboxamide?
The InChIKey is CGRRQPGAARBMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O2/c1-7-4-8(12)10(13-5-7)17-14-6-9(15-17)11(18)16(2)19-3/h4-6H,1-3H3.
What are the key properties of 2-(3-chloro-5-methyl-2-pyridinyl)-N-methoxy-N-methyltriazole-4-carboxamide?
2-(3-chloro-5-methyl-2-pyridinyl)-N-methoxy-N-methyltriazole-4-carboxamide has a molecular weight of 281.70 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-methyl-2-pyridinyl)-N-methoxy-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 165087809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).