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

C19H18F4N4O3 — CID 59334812

IUPAC1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)C1=CCN(c2ncc([C@@H](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)26-13-1-2-16(24-9-13)19(21,22)23/h1-3,7-9,15,28-29H,4-6,10H2,(H,26,30)/t15-/m0/s1
InChIKeyQVSBZRBQCJMHFD-HNNXBMFYSA-N
MW426.37 g/mol
LogP2.44
Rot. Bonds5

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

1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 59334812) has the molecular formula C19H18F4N4O3 and a molecular weight of 426.37 g/mol. Its IUPAC name is 1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID59334812
Molecular FormulaC19H18F4N4O3
Molecular Weight426.37 g/mol
Exact Mass426.13
IUPAC Name1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)C1=CCN(c2ncc([C@@H](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)26-13-1-2-16(24-9-13)19(21,22)23/h1-3,7-9,15,28-29H,4-6,10H2,(H,26,30)/t15-/m0/s1
InChIKeyQVSBZRBQCJMHFD-HNNXBMFYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide (CID 59334812) is 1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)nc1)C1=CCN(c2ncc([C@@H](O)CO)cc2F)CC1.
What is the InChIKey of 1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is QVSBZRBQCJMHFD-HNNXBMFYSA-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)26-13-1-2-16(24-9-13)19(21,22)23/h1-3,7-9,15,28-29H,4-6,10H2,(H,26,30)/t15-/m0/s1.
What are the key properties of 1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide?
1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[6-(trifluoromethyl)-3-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-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 59334812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).