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

C18H15ClF3N3O3S — CID 11247815

IUPAC1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1=CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C18H15ClF3N3O3S/c19-15-2-1-9-23-16(15)25-10-7-12(8-11-25)17(26)24-13-3-5-14(6-4-13)29(27,28)18(20,21)22/h1-7,9H,8,10-11H2,(H,24,26)
InChIKeyDKMCLCOKQSDNMP-UHFFFAOYSA-N
MW445.85 g/mol
LogP3.80
Rot. Bonds4

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

1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 11247815) has the molecular formula C18H15ClF3N3O3S and a molecular weight of 445.85 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID11247815
Molecular FormulaC18H15ClF3N3O3S
Molecular Weight445.85 g/mol
Exact Mass445.05
IUPAC Name1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1=CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C18H15ClF3N3O3S/c19-15-2-1-9-23-16(15)25-10-7-12(8-11-25)17(26)24-13-3-5-14(6-4-13)29(27,28)18(20,21)22/h1-7,9H,8,10-11H2,(H,24,26)
InChIKeyDKMCLCOKQSDNMP-UHFFFAOYSA-N
XLogP3.80
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.85
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyrimidin-2-yl-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11235292
1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11280957
N-(4-tert-butylphenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11474160
N-(3-chloro-4-methylphenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11439853
3-[[1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]benzoic acid
CID 70796553
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11294332
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 91407250
4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethylsulfonyl)phenyl]piperidine-1-carboxamide
CID 71165123
1-[3-chloro-5-[(2S)-1-hydroxypropan-2-yl]-2-pyridinyl]-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 90206009
1-(5-bromo-3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 59334817
4-(3-chloro-2-pyridinyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 59673279
N-(4-chlorophenyl)-1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 20929929

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 11247815) is 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide is O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1=CCN(c2ncccc2Cl)CC1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is DKMCLCOKQSDNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3O3S/c19-15-2-1-9-23-16(15)25-10-7-12(8-11-25)17(26)24-13-3-5-14(6-4-13)29(27,28)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-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 445.85 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 11247815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).