N-[6-(2,3-dichloroanilino)-3-pyridinyl]propanamide

C14H13Cl2N3O — CID 113022413

IUPACN-[6-(2,3-dichloroanilino)-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2cccc(Cl)c2Cl)nc1
InChIInChI=1S/C14H13Cl2N3O/c1-2-13(20)18-9-6-7-12(17-8-9)19-11-5-3-4-10(15)14(11)16/h3-8H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyHVAUBYXTWCUEIK-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.48
Rot. Bonds4

About N-[6-(2,3-dichloroanilino)-3-pyridinyl]propanamide

N-[6-(2,3-dichloroanilino)-3-pyridinyl]propanamide (PubChem CID 113022413) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is N-[6-(2,3-dichloroanilino)-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[6-(2,3-dichloroanilino)-3-pyridinyl]propanamide
PubChem CID113022413
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC NameN-[6-(2,3-dichloroanilino)-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2cccc(Cl)c2Cl)nc1
InChIInChI=1S/C14H13Cl2N3O/c1-2-13(20)18-9-6-7-12(17-8-9)19-11-5-3-4-10(15)14(11)16/h3-8H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyHVAUBYXTWCUEIK-UHFFFAOYSA-N
XLogP4.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[6-(2,3-dichloroanilino)-3-pyridinyl]propanamide 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

N-[5-(2-chloroanilino)-2-pyridinyl]propanamide
CID 113033183
N-[6-(quinolin-8-ylamino)-3-pyridinyl]propanamide
CID 113021717
N-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113022429
N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113018452
N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide
CID 113018289
N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]propanamide
CID 113023032
N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide
CID 113021698
1-[5-(2,3-dichloroanilino)-2-pyridinyl]-3-phenylurea
CID 113036867
N-[6-(3-methoxyanilino)-3-pyridinyl]propanamide
CID 113019375
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113018700
N-[6-(4-methoxyanilino)-3-pyridinyl]propanamide
CID 113019477
N-[5-(2,5-dichloroanilino)-2-pyridinyl]propanamide
CID 113036750

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dichloroanilino)-3-pyridinyl]propanamide?
The IUPAC name of N-[6-(2,3-dichloroanilino)-3-pyridinyl]propanamide (CID 113022413) is N-[6-(2,3-dichloroanilino)-3-pyridinyl]propanamide.
What is the SMILES notation for N-[6-(2,3-dichloroanilino)-3-pyridinyl]propanamide?
The canonical SMILES for N-[6-(2,3-dichloroanilino)-3-pyridinyl]propanamide is CCC(=O)Nc1ccc(Nc2cccc(Cl)c2Cl)nc1.
What is the InChIKey of N-[6-(2,3-dichloroanilino)-3-pyridinyl]propanamide?
The InChIKey is HVAUBYXTWCUEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-2-13(20)18-9-6-7-12(17-8-9)19-11-5-3-4-10(15)14(11)16/h3-8H,2H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[6-(2,3-dichloroanilino)-3-pyridinyl]propanamide?
N-[6-(2,3-dichloroanilino)-3-pyridinyl]propanamide has a molecular weight of 310.18 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dichloroanilino)-3-pyridinyl]propanamide is sourced from PubChem (CID 113022413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).