1-(3-chloro-2-pyridinyl)-N-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-4-carboxamide

C17H14Cl3N3O — CID 11234438

IUPAC1-(3-chloro-2-pyridinyl)-N-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1=CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C17H14Cl3N3O/c18-13-4-3-12(10-15(13)20)22-17(24)11-5-8-23(9-6-11)16-14(19)2-1-7-21-16/h1-5,7,10H,6,8-9H2,(H,22,24)
InChIKeyBVVULFOSJZIUFY-UHFFFAOYSA-N
MW382.68 g/mol
LogP4.82
Rot. Bonds3

About 1-(3-chloro-2-pyridinyl)-N-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-4-carboxamide

1-(3-chloro-2-pyridinyl)-N-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 11234438) has the molecular formula C17H14Cl3N3O and a molecular weight of 382.68 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID11234438
Molecular FormulaC17H14Cl3N3O
Molecular Weight382.68 g/mol
Exact Mass381.02
IUPAC Name1-(3-chloro-2-pyridinyl)-N-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1=CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C17H14Cl3N3O/c18-13-4-3-12(10-15(13)20)22-17(24)11-5-8-23(9-6-11)16-14(19)2-1-7-21-16/h1-5,7,10H,6,8-9H2,(H,22,24)
InChIKeyBVVULFOSJZIUFY-UHFFFAOYSA-N
XLogP4.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.68
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-2-pyridinyl)-N-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-4-carboxamide (CID 11234438) is 1-(3-chloro-2-pyridinyl)-N-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-4-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)C1=CCN(c2ncccc2Cl)CC1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is BVVULFOSJZIUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3N3O/c18-13-4-3-12(10-15(13)20)22-17(24)11-5-8-23(9-6-11)16-14(19)2-1-7-21-16/h1-5,7,10H,6,8-9H2,(H,22,24).
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
1-(3-chloro-2-pyridinyl)-N-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 382.68 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 11234438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).