5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide

C20H17Cl2N3O — CID 109232865

IUPAC5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cncc(Nc2ccc(Cl)c(Cl)c2)c1)c1ccccc1
InChIInChI=1S/C20H17Cl2N3O/c1-13(14-5-3-2-4-6-14)24-20(26)15-9-17(12-23-11-15)25-16-7-8-18(21)19(22)10-16/h2-13,25H,1H3,(H,24,26)
InChIKeyHUZLIKLXSZEASD-UHFFFAOYSA-N
MW386.28 g/mol
LogP5.62
Rot. Bonds5

About 5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide

5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide (PubChem CID 109232865) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is 5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
PubChem CID109232865
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC Name5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cncc(Nc2ccc(Cl)c(Cl)c2)c1)c1ccccc1
InChIInChI=1S/C20H17Cl2N3O/c1-13(14-5-3-2-4-6-14)24-20(26)15-9-17(12-23-11-15)25-16-7-8-18(21)19(22)10-16/h2-13,25H,1H3,(H,24,26)
InChIKeyHUZLIKLXSZEASD-UHFFFAOYSA-N
XLogP5.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232823
5-(4-bromoanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232831
5-(4-methoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232834
N-(1-phenylethyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109232839
methyl 3-[[5-(1-phenylethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109232851
5-(2,3-dimethylanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232809
5-[2-(4-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232774
N-butan-2-yl-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
CID 109225232
2-(3-chloro-4-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256422
N-(1-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232761
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 793526
3-N-(4-ethylphenyl)-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105379

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide (CID 109232865) is 5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide is CC(NC(=O)c1cncc(Nc2ccc(Cl)c(Cl)c2)c1)c1ccccc1.
What is the InChIKey of 5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide?
The InChIKey is HUZLIKLXSZEASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c1-13(14-5-3-2-4-6-14)24-20(26)15-9-17(12-23-11-15)25-16-7-8-18(21)19(22)10-16/h2-13,25H,1H3,(H,24,26).
What are the key properties of 5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide?
5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide has a molecular weight of 386.28 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109232865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).