4-[5-(2-hydroxyethyl)-3-methyl-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide

C20H21F3N4O2 — CID 162544817

IUPAC4-[5-(2-hydroxyethyl)-3-methyl-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1cc(CCO)cnc1C1=CCN(C(=O)Nc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H21F3N4O2/c1-13-10-14(6-9-28)11-25-18(13)15-4-7-27(8-5-15)19(29)26-17-3-2-16(12-24-17)20(21,22)23/h2-4,10-12,28H,5-9H2,1H3,(H,24,26,29)
InChIKeyYTCBVQFDDARQLM-UHFFFAOYSA-N
MW406.41 g/mol
LogP3.66
Rot. Bonds4

About 4-[5-(2-hydroxyethyl)-3-methyl-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide

4-[5-(2-hydroxyethyl)-3-methyl-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 162544817) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is 4-[5-(2-hydroxyethyl)-3-methyl-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-[5-(2-hydroxyethyl)-3-methyl-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID162544817
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC Name4-[5-(2-hydroxyethyl)-3-methyl-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1cc(CCO)cnc1C1=CCN(C(=O)Nc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C20H21F3N4O2/c1-13-10-14(6-9-28)11-25-18(13)15-4-7-27(8-5-15)19(29)26-17-3-2-16(12-24-17)20(21,22)23/h2-4,10-12,28H,5-9H2,1H3,(H,24,26,29)
InChIKeyYTCBVQFDDARQLM-UHFFFAOYSA-N
XLogP3.66
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 90380957
4-fluoro-4-[3-fluoro-5-(2-hydroxyethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide
CID 135254425
4-[3-chloro-5-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-2-pyridinyl]-N-[5-(1,1-difluoropropyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 123689415
N-[6-[1-(2,2-dimethylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methyl-3-pyridinyl]-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 86692615
4-[3-chloro-5-[5-(1,3-dihydroxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-[5-(1,1-difluoropropyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 123629363
N-[3-chloro-4-(trifluoromethyl)phenyl]-4-[5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71015568
4-[3-chloro-5-(2-hydroxyethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 138655353
4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane
CID 158097435
4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]-N-[4-(1,1-difluoroethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 160703448
4-[3-chloro-5-(4-hydroxybutyl)-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 123397111
N-(1-aminoethylidene)-5-chloro-6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide
CID 123326882
4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 90380903

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-hydroxyethyl)-3-methyl-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-[5-(2-hydroxyethyl)-3-methyl-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 162544817) is 4-[5-(2-hydroxyethyl)-3-methyl-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-[5-(2-hydroxyethyl)-3-methyl-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-[5-(2-hydroxyethyl)-3-methyl-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide is Cc1cc(CCO)cnc1C1=CCN(C(=O)Nc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 4-[5-(2-hydroxyethyl)-3-methyl-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is YTCBVQFDDARQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2/c1-13-10-14(6-9-28)11-25-18(13)15-4-7-27(8-5-15)19(29)26-17-3-2-16(12-24-17)20(21,22)23/h2-4,10-12,28H,5-9H2,1H3,(H,24,26,29).
What are the key properties of 4-[5-(2-hydroxyethyl)-3-methyl-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
4-[5-(2-hydroxyethyl)-3-methyl-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 406.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-hydroxyethyl)-3-methyl-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 162544817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).