2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide

C20H17Cl2N3O — CID 23632578

IUPAC2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cccnc1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H17Cl2N3O/c21-17-9-8-15(13-18(17)22)25-19-16(7-4-11-23-19)20(26)24-12-10-14-5-2-1-3-6-14/h1-9,11,13H,10,12H2,(H,23,25)(H,24,26)
InChIKeyKZHAFJFYHXSYRV-UHFFFAOYSA-N
MW386.28 g/mol
LogP5.10
Rot. Bonds6

About 2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide

2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 23632578) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID23632578
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC Name2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cccnc1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H17Cl2N3O/c21-17-9-8-15(13-18(17)22)25-19-16(7-4-11-23-19)20(26)24-12-10-14-5-2-1-3-6-14/h1-9,11,13H,10,12H2,(H,23,25)(H,24,26)
InChIKeyKZHAFJFYHXSYRV-UHFFFAOYSA-N
XLogP5.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-[(3,4-dichlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 20754911
2-(2-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1440949
2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307965
N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632653
5-(3,4-dichloroanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283887
N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167056
N-(4-bromophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632625
N-benzyl-2-(3-bromoanilino)pyridine-3-carboxamide
CID 23632442
2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 62237813
2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259447
N-[2-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 129316266
5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191800

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide (CID 23632578) is 2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide is O=C(NCCc1ccccc1)c1cccnc1Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is KZHAFJFYHXSYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c21-17-9-8-15(13-18(17)22)25-19-16(7-4-11-23-19)20(26)24-12-10-14-5-2-1-3-6-14/h1-9,11,13H,10,12H2,(H,23,25)(H,24,26).
What are the key properties of 2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 386.28 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 23632578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).