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

C24H25ClN2O2 — CID 58639644

IUPACN-(4-tert-butylphenyl)-6-(2-chloro-4-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(-c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cn2)c(Cl)c1
InChIInChI=1S/C24H25ClN2O2/c1-5-29-19-11-12-20(21(25)14-19)22-13-6-16(15-26-22)23(28)27-18-9-7-17(8-10-18)24(2,3)4/h6-15H,5H2,1-4H3,(H,27,28)
InChIKeyPPAGZPIAXIHDCS-UHFFFAOYSA-N
MW408.93 g/mol
LogP6.35
Rot. Bonds5

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

N-(4-tert-butylphenyl)-6-(2-chloro-4-ethoxyphenyl)pyridine-3-carboxamide (PubChem CID 58639644) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-6-(2-chloro-4-ethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-6-(2-chloro-4-ethoxyphenyl)pyridine-3-carboxamide
PubChem CID58639644
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC NameN-(4-tert-butylphenyl)-6-(2-chloro-4-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(-c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cn2)c(Cl)c1
InChIInChI=1S/C24H25ClN2O2/c1-5-29-19-11-12-20(21(25)14-19)22-13-6-16(15-26-22)23(28)27-18-9-7-17(8-10-18)24(2,3)4/h6-15H,5H2,1-4H3,(H,27,28)
InChIKeyPPAGZPIAXIHDCS-UHFFFAOYSA-N
XLogP6.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,5-N-bis(4-ethoxyphenyl)pyridine-2,5-dicarboxamide
CID 3252781
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide
CID 15991907
N-(4-tert-butylphenyl)-6-phenylpyridine-3-carboxamide
CID 11450343
6-(2-chlorophenyl)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 58639429
N-(6-chloro-3-pyridinyl)-4-ethoxybenzamide
CID 54787908
6-[(4-ethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427210
3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509972
4-ethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 673574
6-(4-ethoxy-2-methylphenyl)pyridine-3-carboxylic acid
CID 53223705
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
2-[4-[(4-tert-butylbenzoyl)amino]phenoxy]acetate
CID 6952976
N-(3-amino-4-chlorophenyl)-4-ethoxybenzamide
CID 18071163

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-6-(2-chloro-4-ethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-6-(2-chloro-4-ethoxyphenyl)pyridine-3-carboxamide (CID 58639644) is N-(4-tert-butylphenyl)-6-(2-chloro-4-ethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-6-(2-chloro-4-ethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-6-(2-chloro-4-ethoxyphenyl)pyridine-3-carboxamide is CCOc1ccc(-c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cn2)c(Cl)c1.
What is the InChIKey of N-(4-tert-butylphenyl)-6-(2-chloro-4-ethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is PPAGZPIAXIHDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c1-5-29-19-11-12-20(21(25)14-19)22-13-6-16(15-26-22)23(28)27-18-9-7-17(8-10-18)24(2,3)4/h6-15H,5H2,1-4H3,(H,27,28).
What are the key properties of N-(4-tert-butylphenyl)-6-(2-chloro-4-ethoxyphenyl)pyridine-3-carboxamide?
N-(4-tert-butylphenyl)-6-(2-chloro-4-ethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 408.93 g/mol, XLogP of 6.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-6-(2-chloro-4-ethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 58639644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).