2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide

C10H9Cl2N5O — CID 106993375

IUPAC2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
SMILESCn1cnnc1CNC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C10H9Cl2N5O/c1-17-5-14-16-8(17)4-13-10(18)6-2-3-7(11)15-9(6)12/h2-3,5H,4H2,1H3,(H,13,18)
InChIKeyDNSSXBNPDSFWSE-UHFFFAOYSA-N
MW286.12 g/mol
LogP1.45
Rot. Bonds3

About 2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide

2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 106993375) has the molecular formula C10H9Cl2N5O and a molecular weight of 286.12 g/mol. Its IUPAC name is 2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
PubChem CID106993375
Molecular FormulaC10H9Cl2N5O
Molecular Weight286.12 g/mol
Exact Mass285.02
IUPAC Name2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
SMILESCn1cnnc1CNC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C10H9Cl2N5O/c1-17-5-14-16-8(17)4-13-10(18)6-2-3-7(11)15-9(6)12/h2-3,5H,4H2,1H3,(H,13,18)
InChIKeyDNSSXBNPDSFWSE-UHFFFAOYSA-N
XLogP1.45
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 66484515
2-chloro-5-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 103893192
2-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 79777537
2-amino-4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 63110019
2-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-nitrobenzamide
CID 115931067
2,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 103898822
2-amino-5-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 107074730
4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 81242971
3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 105068860
2-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 62181122
2,6-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 103862411
4-bromo-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 47158502

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide (CID 106993375) is 2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide is Cn1cnnc1CNC(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is DNSSXBNPDSFWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5O/c1-17-5-14-16-8(17)4-13-10(18)6-2-3-7(11)15-9(6)12/h2-3,5H,4H2,1H3,(H,13,18).
What are the key properties of 2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 286.12 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 106993375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).