4-[(2,5-dichlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)pyridine-2-carboxamide

C20H17Cl2N3O2 — CID 69071864

IUPAC4-[(2,5-dichlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc(COc3cc(Cl)ccc3Cl)ccn2)c1
InChIInChI=1S/C20H17Cl2N3O2/c1-12-7-13(2)24-19(8-12)25-20(26)17-9-14(5-6-23-17)11-27-18-10-15(21)3-4-16(18)22/h3-10H,11H2,1-2H3,(H,24,25,26)
InChIKeyMNHQOSQLFSOXAR-UHFFFAOYSA-N
MW402.28 g/mol
LogP5.23
Rot. Bonds5

About 4-[(2,5-dichlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)pyridine-2-carboxamide

4-[(2,5-dichlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)pyridine-2-carboxamide (PubChem CID 69071864) has the molecular formula C20H17Cl2N3O2 and a molecular weight of 402.28 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2,5-dichlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)pyridine-2-carboxamide
PubChem CID69071864
Molecular FormulaC20H17Cl2N3O2
Molecular Weight402.28 g/mol
Exact Mass401.07
IUPAC Name4-[(2,5-dichlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)pyridine-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cc(COc3cc(Cl)ccc3Cl)ccn2)c1
InChIInChI=1S/C20H17Cl2N3O2/c1-12-7-13(2)24-19(8-12)25-20(26)17-9-14(5-6-23-17)11-27-18-10-15(21)3-4-16(18)22/h3-10H,11H2,1-2H3,(H,24,25,26)
InChIKeyMNHQOSQLFSOXAR-UHFFFAOYSA-N
XLogP5.23
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.28
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 4-[(2,5-dichlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)pyridine-2-carboxamide (CID 69071864) is 4-[(2,5-dichlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[(2,5-dichlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[(2,5-dichlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)pyridine-2-carboxamide is Cc1cc(C)nc(NC(=O)c2cc(COc3cc(Cl)ccc3Cl)ccn2)c1.
What is the InChIKey of 4-[(2,5-dichlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)pyridine-2-carboxamide?
The InChIKey is MNHQOSQLFSOXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O2/c1-12-7-13(2)24-19(8-12)25-20(26)17-9-14(5-6-23-17)11-27-18-10-15(21)3-4-16(18)22/h3-10H,11H2,1-2H3,(H,24,25,26).
What are the key properties of 4-[(2,5-dichlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)pyridine-2-carboxamide?
4-[(2,5-dichlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)pyridine-2-carboxamide has a molecular weight of 402.28 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorophenoxy)methyl]-N-(4,6-dimethyl-2-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 69071864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).