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

C18H15ClF3N3O — CID 11176490

IUPACN-(4-chlorophenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1=CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C18H15ClF3N3O/c19-13-3-5-14(6-4-13)24-17(26)12-7-10-25(11-8-12)16-15(18(20,21)22)2-1-9-23-16/h1-7,9H,8,10-11H2,(H,24,26)
InChIKeyBHBZFJBSLMYUOQ-UHFFFAOYSA-N
MW381.79 g/mol
LogP4.53
Rot. Bonds3

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

N-(4-chlorophenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 11176490) has the molecular formula C18H15ClF3N3O and a molecular weight of 381.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID11176490
Molecular FormulaC18H15ClF3N3O
Molecular Weight381.79 g/mol
Exact Mass381.09
IUPAC NameN-(4-chlorophenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1=CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C18H15ClF3N3O/c19-13-3-5-14(6-4-13)24-17(26)12-7-10-25(11-8-12)16-15(18(20,21)22)2-1-9-23-16/h1-7,9H,8,10-11H2,(H,24,26)
InChIKeyBHBZFJBSLMYUOQ-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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 11176490) is N-(4-chlorophenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide is O=C(Nc1ccc(Cl)cc1)C1=CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of N-(4-chlorophenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is BHBZFJBSLMYUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3O/c19-13-3-5-14(6-4-13)24-17(26)12-7-10-25(11-8-12)16-15(18(20,21)22)2-1-9-23-16/h1-7,9H,8,10-11H2,(H,24,26).
What are the key properties of N-(4-chlorophenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
N-(4-chlorophenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-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 N-(4-chlorophenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 11176490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).