5-(4-chloro-2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide

C21H20ClN3O — CID 109188912

IUPAC5-(4-chloro-2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1Nc1ccc(C(=O)NC(C)c2ccccc2)nc1
InChIInChI=1S/C21H20ClN3O/c1-14-12-17(22)8-10-19(14)25-18-9-11-20(23-13-18)21(26)24-15(2)16-6-4-3-5-7-16/h3-13,15,25H,1-2H3,(H,24,26)
InChIKeyFAOASYOJNIPEHQ-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.28
Rot. Bonds5

About 5-(4-chloro-2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide

5-(4-chloro-2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide (PubChem CID 109188912) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 5-(4-chloro-2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
PubChem CID109188912
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name5-(4-chloro-2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1Nc1ccc(C(=O)NC(C)c2ccccc2)nc1
InChIInChI=1S/C21H20ClN3O/c1-14-12-17(22)8-10-19(14)25-18-9-11-20(23-13-18)21(26)24-15(2)16-6-4-3-5-7-16/h3-13,15,25H,1-2H3,(H,24,26)
InChIKeyFAOASYOJNIPEHQ-UHFFFAOYSA-N
XLogP5.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-fluoroanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188905
5-(5-chloro-2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280832
5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188944
4-(2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210679
5-(2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280804
N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181316
5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109195211
[5-(4-chloro-2-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109197752
5-[2-(2-fluorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188857
5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280871
2-(2,4-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304896
4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218765

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-chloro-2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide (CID 109188912) is 5-(4-chloro-2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-chloro-2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-chloro-2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide is Cc1cc(Cl)ccc1Nc1ccc(C(=O)NC(C)c2ccccc2)nc1.
What is the InChIKey of 5-(4-chloro-2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide?
The InChIKey is FAOASYOJNIPEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-14-12-17(22)8-10-19(14)25-18-9-11-20(23-13-18)21(26)24-15(2)16-6-4-3-5-7-16/h3-13,15,25H,1-2H3,(H,24,26).
What are the key properties of 5-(4-chloro-2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide?
5-(4-chloro-2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109188912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).