N-(4-tert-butylphenyl)-5-chloro-6-(2-chlorophenyl)pyridine-3-carboxamide

C22H20Cl2N2O — CID 58639665

IUPACN-(4-tert-butylphenyl)-5-chloro-6-(2-chlorophenyl)pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cnc(-c3ccccc3Cl)c(Cl)c2)cc1
InChIInChI=1S/C22H20Cl2N2O/c1-22(2,3)15-8-10-16(11-9-15)26-21(27)14-12-19(24)20(25-13-14)17-6-4-5-7-18(17)23/h4-13H,1-3H3,(H,26,27)
InChIKeyREBGVYVIDSRHFH-UHFFFAOYSA-N
MW399.32 g/mol
LogP6.61
Rot. Bonds3

About N-(4-tert-butylphenyl)-5-chloro-6-(2-chlorophenyl)pyridine-3-carboxamide

N-(4-tert-butylphenyl)-5-chloro-6-(2-chlorophenyl)pyridine-3-carboxamide (PubChem CID 58639665) has the molecular formula C22H20Cl2N2O and a molecular weight of 399.32 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-chloro-6-(2-chlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-chloro-6-(2-chlorophenyl)pyridine-3-carboxamide
PubChem CID58639665
Molecular FormulaC22H20Cl2N2O
Molecular Weight399.32 g/mol
Exact Mass398.10
IUPAC NameN-(4-tert-butylphenyl)-5-chloro-6-(2-chlorophenyl)pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cnc(-c3ccccc3Cl)c(Cl)c2)cc1
InChIInChI=1S/C22H20Cl2N2O/c1-22(2,3)15-8-10-16(11-9-15)26-21(27)14-12-19(24)20(25-13-14)17-6-4-5-7-18(17)23/h4-13H,1-3H3,(H,26,27)
InChIKeyREBGVYVIDSRHFH-UHFFFAOYSA-N
XLogP6.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.32
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-chloro-6-(2-chlorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-5-chloro-6-(2-chlorophenyl)pyridine-3-carboxamide (CID 58639665) is N-(4-tert-butylphenyl)-5-chloro-6-(2-chlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-chloro-6-(2-chlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-5-chloro-6-(2-chlorophenyl)pyridine-3-carboxamide is CC(C)(C)c1ccc(NC(=O)c2cnc(-c3ccccc3Cl)c(Cl)c2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-chloro-6-(2-chlorophenyl)pyridine-3-carboxamide?
The InChIKey is REBGVYVIDSRHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O/c1-22(2,3)15-8-10-16(11-9-15)26-21(27)14-12-19(24)20(25-13-14)17-6-4-5-7-18(17)23/h4-13H,1-3H3,(H,26,27).
What are the key properties of N-(4-tert-butylphenyl)-5-chloro-6-(2-chlorophenyl)pyridine-3-carboxamide?
N-(4-tert-butylphenyl)-5-chloro-6-(2-chlorophenyl)pyridine-3-carboxamide has a molecular weight of 399.32 g/mol, XLogP of 6.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5-chloro-6-(2-chlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 58639665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).