1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide

C18H15ClF3N3O — CID 11372463

IUPAC1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1=CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C18H15ClF3N3O/c19-15-2-1-9-23-16(15)25-10-7-12(8-11-25)17(26)24-14-5-3-13(4-6-14)18(20,21)22/h1-7,9H,8,10-11H2,(H,24,26)
InChIKeyDYAYYJDLMYXQSL-UHFFFAOYSA-N
MW381.79 g/mol
LogP4.53
Rot. Bonds3

About 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide

1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 11372463) has the molecular formula C18H15ClF3N3O and a molecular weight of 381.79 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID11372463
Molecular FormulaC18H15ClF3N3O
Molecular Weight381.79 g/mol
Exact Mass381.09
IUPAC Name1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C1=CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C18H15ClF3N3O/c19-15-2-1-9-23-16(15)25-10-7-12(8-11-25)17(26)24-14-5-3-13(4-6-14)18(20,21)22/h1-7,9H,8,10-11H2,(H,24,26)
InChIKeyDYAYYJDLMYXQSL-UHFFFAOYSA-N
XLogP4.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.79
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-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

Related Compounds

CID 9929425
CID 9929425
CID 24849206
CID 24849206
CID 25224408
CID 25224408
CID 70702144
CID 70702144
CID 70702160
CID 70702160
CID 23725212
CID 23725212
CID 138544107
CID 138544107
CID 669846
CID 669846
CID 670085
CID 670085
CID 36851
CID 36851
CID 44449404
CID 44449404
CID 44449443
CID 44449443

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 11372463) is 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)C1=CCN(c2ncccc2Cl)CC1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is DYAYYJDLMYXQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3O/c19-15-2-1-9-23-16(15)25-10-7-12(8-11-25)17(26)24-14-5-3-13(4-6-14)18(20,21)22/h1-7,9H,8,10-11H2,(H,24,26).
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 381.79 g/mol, XLogP of 4.53, 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-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 11372463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).