6-amino-5-hydroxy-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]piperidin-3-yl]pyrimidine-4-carboxamide

C19H21F3N6O3 — CID 139564911

IUPAC6-amino-5-hydroxy-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]piperidin-3-yl]pyrimidine-4-carboxamide
SMILESNc1ncnc(C(=O)NC2CCCN(CC(=O)Nc3cccc(C(F)(F)F)c3)C2)c1O
InChIInChI=1S/C19H21F3N6O3/c20-19(21,22)11-3-1-4-12(7-11)26-14(29)9-28-6-2-5-13(8-28)27-18(31)15-16(30)17(23)25-10-24-15/h1,3-4,7,10,13,30H,2,5-6,8-9H2,(H,26,29)(H,27,31)(H2,23,24,25)
InChIKeyKGEDVSQGXZWQAS-UHFFFAOYSA-N
MW438.41 g/mol
LogP1.62
Rot. Bonds5

About 6-amino-5-hydroxy-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]piperidin-3-yl]pyrimidine-4-carboxamide

6-amino-5-hydroxy-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]piperidin-3-yl]pyrimidine-4-carboxamide (PubChem CID 139564911) has the molecular formula C19H21F3N6O3 and a molecular weight of 438.41 g/mol. Its IUPAC name is 6-amino-5-hydroxy-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]piperidin-3-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-amino-5-hydroxy-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]piperidin-3-yl]pyrimidine-4-carboxamide
PubChem CID139564911
Molecular FormulaC19H21F3N6O3
Molecular Weight438.41 g/mol
Exact Mass438.16
IUPAC Name6-amino-5-hydroxy-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]piperidin-3-yl]pyrimidine-4-carboxamide
SMILESNc1ncnc(C(=O)NC2CCCN(CC(=O)Nc3cccc(C(F)(F)F)c3)C2)c1O
InChIInChI=1S/C19H21F3N6O3/c20-19(21,22)11-3-1-4-12(7-11)26-14(29)9-28-6-2-5-13(8-28)27-18(31)15-16(30)17(23)25-10-24-15/h1,3-4,7,10,13,30H,2,5-6,8-9H2,(H,26,29)(H,27,31)(H2,23,24,25)
InChIKeyKGEDVSQGXZWQAS-UHFFFAOYSA-N
XLogP1.62
TPSA133.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(methylamino)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119920212
2-[3-[[1-(6-amino-5-chloropyrimidin-4-yl)-1-hydroxyethyl]amino]pyrrolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 139564748
2-(4-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 31480654
2-[3-[2-(6-amino-5-chloropyrimidin-4-yl)-2-oxoethyl]pyrrolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;1-(6-amino-5-chloropyrimidin-4-yl)-2-[1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidin-4-yl]ethanone
CID 160602450
2-(4-cyclopentylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 34421603
2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 163357417
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 60500965
2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 166601910
3-(3-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 111912607
2-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 163344929
3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 62536564
2-(3-acetamidopiperidin-1-yl)-N-phenylacetamide
CID 60503649

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-hydroxy-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]piperidin-3-yl]pyrimidine-4-carboxamide?
The IUPAC name of 6-amino-5-hydroxy-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]piperidin-3-yl]pyrimidine-4-carboxamide (CID 139564911) is 6-amino-5-hydroxy-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]piperidin-3-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-amino-5-hydroxy-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]piperidin-3-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-amino-5-hydroxy-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]piperidin-3-yl]pyrimidine-4-carboxamide is Nc1ncnc(C(=O)NC2CCCN(CC(=O)Nc3cccc(C(F)(F)F)c3)C2)c1O.
What is the InChIKey of 6-amino-5-hydroxy-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]piperidin-3-yl]pyrimidine-4-carboxamide?
The InChIKey is KGEDVSQGXZWQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6O3/c20-19(21,22)11-3-1-4-12(7-11)26-14(29)9-28-6-2-5-13(8-28)27-18(31)15-16(30)17(23)25-10-24-15/h1,3-4,7,10,13,30H,2,5-6,8-9H2,(H,26,29)(H,27,31)(H2,23,24,25).
What are the key properties of 6-amino-5-hydroxy-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]piperidin-3-yl]pyrimidine-4-carboxamide?
6-amino-5-hydroxy-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]piperidin-3-yl]pyrimidine-4-carboxamide has a molecular weight of 438.41 g/mol, XLogP of 1.62, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-hydroxy-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]piperidin-3-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 139564911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).