6-[(Z)-2-amino-5-hydroxy-5-methylhex-1-enyl]-4-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-3-carboxamide

C20H22F3N5O3 — CID 155186647

IUPAC6-[(Z)-2-amino-5-hydroxy-5-methylhex-1-enyl]-4-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)CC/C(N)=C/c1cc(NC(=O)c2cccc(C(F)(F)F)n2)c(C(N)=O)cn1
InChIInChI=1S/C20H22F3N5O3/c1-19(2,31)7-6-11(24)8-12-9-15(13(10-26-12)17(25)29)28-18(30)14-4-3-5-16(27-14)20(21,22)23/h3-5,8-10,31H,6-7,24H2,1-2H3,(H2,25,29)(H,26,28,30)/b11-8-
InChIKeyVSROHRYOVXNIOL-FLIBITNWSA-N
MW437.42 g/mol
LogP2.70
Rot. Bonds7

About 6-[(Z)-2-amino-5-hydroxy-5-methylhex-1-enyl]-4-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-3-carboxamide

6-[(Z)-2-amino-5-hydroxy-5-methylhex-1-enyl]-4-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-3-carboxamide (PubChem CID 155186647) has the molecular formula C20H22F3N5O3 and a molecular weight of 437.42 g/mol. Its IUPAC name is 6-[(Z)-2-amino-5-hydroxy-5-methylhex-1-enyl]-4-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(Z)-2-amino-5-hydroxy-5-methylhex-1-enyl]-4-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-3-carboxamide
PubChem CID155186647
Molecular FormulaC20H22F3N5O3
Molecular Weight437.42 g/mol
Exact Mass437.17
IUPAC Name6-[(Z)-2-amino-5-hydroxy-5-methylhex-1-enyl]-4-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)CC/C(N)=C/c1cc(NC(=O)c2cccc(C(F)(F)F)n2)c(C(N)=O)cn1
InChIInChI=1S/C20H22F3N5O3/c1-19(2,31)7-6-11(24)8-12-9-15(13(10-26-12)17(25)29)28-18(30)14-4-3-5-16(27-14)20(21,22)23/h3-5,8-10,31H,6-7,24H2,1-2H3,(H2,25,29)(H,26,28,30)/b11-8-
InChIKeyVSROHRYOVXNIOL-FLIBITNWSA-N
XLogP2.70
TPSA144.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[(Z)-2-amino-5-hydroxy-5-methylhex-1-enyl]-4-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-3-carboxamide with MolForge

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Related Compounds

2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-7-carboxamide
CID 147739120
N-[7-cyano-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
CID 165028576
N-[6-hydroxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 137199891
methyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 121364952
ethane;methyl 1-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 145389022
ethyl 2-[2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate
CID 162566837
N-[6-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 138727771
N-(cyclopropylmethyl)-2-(3-hydroxy-3-methylbutyl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
CID 155167173
N-[2-(2-hydroxyethyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 129283862
N-[2-(2-iodoethyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164568000
N-[6-(2-hydroxypropan-2-yl)-2-(oxetan-3-ylmethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 121364946
N-[6-(2-hydroxypropan-2-yl)-2-(3-methylsulfonylpropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 121364969

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-amino-5-hydroxy-5-methylhex-1-enyl]-4-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-[(Z)-2-amino-5-hydroxy-5-methylhex-1-enyl]-4-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-3-carboxamide (CID 155186647) is 6-[(Z)-2-amino-5-hydroxy-5-methylhex-1-enyl]-4-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(Z)-2-amino-5-hydroxy-5-methylhex-1-enyl]-4-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[(Z)-2-amino-5-hydroxy-5-methylhex-1-enyl]-4-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-3-carboxamide is CC(C)(O)CC/C(N)=C/c1cc(NC(=O)c2cccc(C(F)(F)F)n2)c(C(N)=O)cn1.
What is the InChIKey of 6-[(Z)-2-amino-5-hydroxy-5-methylhex-1-enyl]-4-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-3-carboxamide?
The InChIKey is VSROHRYOVXNIOL-FLIBITNWSA-N. The full InChI is InChI=1S/C20H22F3N5O3/c1-19(2,31)7-6-11(24)8-12-9-15(13(10-26-12)17(25)29)28-18(30)14-4-3-5-16(27-14)20(21,22)23/h3-5,8-10,31H,6-7,24H2,1-2H3,(H2,25,29)(H,26,28,30)/b11-8-.
What are the key properties of 6-[(Z)-2-amino-5-hydroxy-5-methylhex-1-enyl]-4-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-3-carboxamide?
6-[(Z)-2-amino-5-hydroxy-5-methylhex-1-enyl]-4-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-3-carboxamide has a molecular weight of 437.42 g/mol, XLogP of 2.70, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-amino-5-hydroxy-5-methylhex-1-enyl]-4-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 155186647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).