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

C19H18F4N4O3 — CID 77459776

IUPAC1-[5-(1,2-dihydroxyethyl)-3-fluoro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)C1=CCN(c2ncc(C(O)CO)cc2F)CC1
InChIInChI=1S/C19H18F4N4O3/c20-14-7-12(15(29)10-28)8-25-17(14)27-5-3-11(4-6-27)18(30)26-16-2-1-13(9-24-16)19(21,22)23/h1-3,7-9,15,28-29H,4-6,10H2,(H,24,26,30)
InChIKeyRFRQMQFRYCNEDI-UHFFFAOYSA-N
MW426.37 g/mol
LogP2.44
Rot. Bonds5

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

1-[5-(1,2-dihydroxyethyl)-3-fluoro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 77459776) has the molecular formula C19H18F4N4O3 and a molecular weight of 426.37 g/mol. Its IUPAC name is 1-[5-(1,2-dihydroxyethyl)-3-fluoro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(1,2-dihydroxyethyl)-3-fluoro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID77459776
Molecular FormulaC19H18F4N4O3
Molecular Weight426.37 g/mol
Exact Mass426.13
IUPAC Name1-[5-(1,2-dihydroxyethyl)-3-fluoro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)C1=CCN(c2ncc(C(O)CO)cc2F)CC1
InChIInChI=1S/C19H18F4N4O3/c20-14-7-12(15(29)10-28)8-25-17(14)27-5-3-11(4-6-27)18(30)26-16-2-1-13(9-24-16)19(21,22)23/h1-3,7-9,15,28-29H,4-6,10H2,(H,24,26,30)
InChIKeyRFRQMQFRYCNEDI-UHFFFAOYSA-N
XLogP2.44
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.37
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[5-(1,2-dihydroxyethyl)-3-fluoro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide with MolForge

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Related Compounds

1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 59334816
1-(5-bromo-3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 59334817
1-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 59334805
4-fluoro-4-[3-fluoro-5-[(1R)-1-hydroxy-2-nitrosoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide
CID 162556314
1-(5-ethenyl-3-fluoro-2-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 59334793
1-[3-chloro-5-[(2S)-1-hydroxypropan-2-yl]-2-pyridinyl]-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 90206009
4-[5-(1,2-dihydroxyethyl)-3-fluoro-2-pyridinyl]-N-(5-fluoro-1,3-benzothiazol-2-yl)piperazine-1-carboxamide
CID 123599137
N-[2-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]propoxy]-1-[5-(trifluoromethyl)pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 171478241
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 170716685
4-[(5S)-5-[(ethanethioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59905867
3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
CID 59514574
methyl 2-(4-oxopiperidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 146526064

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,2-dihydroxyethyl)-3-fluoro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-[5-(1,2-dihydroxyethyl)-3-fluoro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 77459776) is 1-[5-(1,2-dihydroxyethyl)-3-fluoro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-[5-(1,2-dihydroxyethyl)-3-fluoro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-[5-(1,2-dihydroxyethyl)-3-fluoro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cn1)C1=CCN(c2ncc(C(O)CO)cc2F)CC1.
What is the InChIKey of 1-[5-(1,2-dihydroxyethyl)-3-fluoro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is RFRQMQFRYCNEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N4O3/c20-14-7-12(15(29)10-28)8-25-17(14)27-5-3-11(4-6-27)18(30)26-16-2-1-13(9-24-16)19(21,22)23/h1-3,7-9,15,28-29H,4-6,10H2,(H,24,26,30).
What are the key properties of 1-[5-(1,2-dihydroxyethyl)-3-fluoro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
1-[5-(1,2-dihydroxyethyl)-3-fluoro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 426.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,2-dihydroxyethyl)-3-fluoro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 77459776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).