2,5-dichloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide

C15H14Cl2N2O2 — CID 608822

IUPAC2,5-dichloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(Cl)nc(C)c(Cl)c2C)cc1
InChIInChI=1S/C15H14Cl2N2O2/c1-8-12(14(17)18-9(2)13(8)16)15(20)19-10-4-6-11(21-3)7-5-10/h4-7H,1-3H3,(H,19,20)
InChIKeySERVFMGGHXRLTN-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.27
Rot. Bonds3

About 2,5-dichloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide

2,5-dichloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide (PubChem CID 608822) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
PubChem CID608822
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name2,5-dichloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(Cl)nc(C)c(Cl)c2C)cc1
InChIInChI=1S/C15H14Cl2N2O2/c1-8-12(14(17)18-9(2)13(8)16)15(20)19-10-4-6-11(21-3)7-5-10/h4-7H,1-3H3,(H,19,20)
InChIKeySERVFMGGHXRLTN-UHFFFAOYSA-N
XLogP4.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.27
H-Bond Donors ≤ 51
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 2,5-dichloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide (CID 608822) is 2,5-dichloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide is COc1ccc(NC(=O)c2c(Cl)nc(C)c(Cl)c2C)cc1.
What is the InChIKey of 2,5-dichloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is SERVFMGGHXRLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-8-12(14(17)18-9(2)13(8)16)15(20)19-10-4-6-11(21-3)7-5-10/h4-7H,1-3H3,(H,19,20).
What are the key properties of 2,5-dichloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide?
2,5-dichloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 608822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).