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

C17H15F3N4O3S — CID 11235292

IUPAC1-pyrimidin-2-yl-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1=CCN(c2ncccn2)CC1
InChIInChI=1S/C17H15F3N4O3S/c18-17(19,20)28(26,27)14-4-2-13(3-5-14)23-15(25)12-6-10-24(11-7-12)16-21-8-1-9-22-16/h1-6,8-9H,7,10-11H2,(H,23,25)
InChIKeyVNTKWNRBZDNLIT-UHFFFAOYSA-N
MW412.39 g/mol
LogP2.55
Rot. Bonds4

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

1-pyrimidin-2-yl-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 11235292) has the molecular formula C17H15F3N4O3S and a molecular weight of 412.39 g/mol. Its IUPAC name is 1-pyrimidin-2-yl-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-pyrimidin-2-yl-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID11235292
Molecular FormulaC17H15F3N4O3S
Molecular Weight412.39 g/mol
Exact Mass412.08
IUPAC Name1-pyrimidin-2-yl-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1=CCN(c2ncccn2)CC1
InChIInChI=1S/C17H15F3N4O3S/c18-17(19,20)28(26,27)14-4-2-13(3-5-14)23-15(25)12-6-10-24(11-7-12)16-21-8-1-9-22-16/h1-6,8-9H,7,10-11H2,(H,23,25)
InChIKeyVNTKWNRBZDNLIT-UHFFFAOYSA-N
XLogP2.55
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11247815
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-[4-[ethyl(propan-2-yl)amino]phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11294332
N-(methoxymethyl)-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 68700554
N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 155169604
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 91407250
N-(3-chloro-4-methylphenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11439853
1-(5-bromo-3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 59334817
3-[[1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]benzoic acid
CID 70796553
1,3-bis[4-(trifluoromethylsulfonyl)phenyl]urea
CID 19433219
1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 59334816

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-yl-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-pyrimidin-2-yl-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 11235292) is 1-pyrimidin-2-yl-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-pyrimidin-2-yl-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-pyrimidin-2-yl-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(c2ncccn2)CC1.
What is the InChIKey of 1-pyrimidin-2-yl-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is VNTKWNRBZDNLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O3S/c18-17(19,20)28(26,27)14-4-2-13(3-5-14)23-15(25)12-6-10-24(11-7-12)16-21-8-1-9-22-16/h1-6,8-9H,7,10-11H2,(H,23,25).
What are the key properties of 1-pyrimidin-2-yl-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
1-pyrimidin-2-yl-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 412.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-yl-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 11235292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).