6-(2-aminopropan-2-yl)-N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

C26H26F4N4O3 — CID 135138998

IUPAC6-(2-aminopropan-2-yl)-N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1ncc(-c2cc(NC(=O)c3cc(C(F)(F)F)cc(C(C)(C)N)n3)ccc2C)cc1C1(F)COC1
InChIInChI=1S/C26H26F4N4O3/c1-14-5-6-17(10-18(14)15-7-19(23(36-4)32-11-15)25(27)12-37-13-25)33-22(35)20-8-16(26(28,29)30)9-21(34-20)24(2,3)31/h5-11H,12-13,31H2,1-4H3,(H,33,35)
InChIKeyDOOWDDPVOCZNAD-UHFFFAOYSA-N
MW518.51 g/mol
LogP5.12
Rot. Bonds6

About 6-(2-aminopropan-2-yl)-N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

6-(2-aminopropan-2-yl)-N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 135138998) has the molecular formula C26H26F4N4O3 and a molecular weight of 518.51 g/mol. Its IUPAC name is 6-(2-aminopropan-2-yl)-N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2-aminopropan-2-yl)-N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID135138998
Molecular FormulaC26H26F4N4O3
Molecular Weight518.51 g/mol
Exact Mass518.19
IUPAC Name6-(2-aminopropan-2-yl)-N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1ncc(-c2cc(NC(=O)c3cc(C(F)(F)F)cc(C(C)(C)N)n3)ccc2C)cc1C1(F)COC1
InChIInChI=1S/C26H26F4N4O3/c1-14-5-6-17(10-18(14)15-7-19(23(36-4)32-11-15)25(27)12-37-13-25)33-22(35)20-8-16(26(28,29)30)9-21(34-20)24(2,3)31/h5-11H,12-13,31H2,1-4H3,(H,33,35)
InChIKeyDOOWDDPVOCZNAD-UHFFFAOYSA-N
XLogP5.12
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.51
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(2-aminopropan-2-yl)-N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Related Compounds

N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 134609346
3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
CID 118948654
N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 171520632
2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 134609474
N-[3-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 176572342
N-[4-methyl-3-(5-morpholin-4-yl-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176803173
2-(1,1-difluoroethyl)-N-[3-[6-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 134609586
N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 90461223
2-(2-cyanopropan-2-yl)-N-[3-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-4-methylphenyl]pyridine-4-carboxamide
CID 134609615
N-[3-[2-(2-hydroxyethoxy)-6-(3-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 135133415
ethane;N-[3-(6-hex-5-ynoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 142464641
(1R)-2,2-difluoro-N-[4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]cyclopropane-1-carboxamide
CID 169175808

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropan-2-yl)-N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(2-aminopropan-2-yl)-N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide (CID 135138998) is 6-(2-aminopropan-2-yl)-N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(2-aminopropan-2-yl)-N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(2-aminopropan-2-yl)-N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide is COc1ncc(-c2cc(NC(=O)c3cc(C(F)(F)F)cc(C(C)(C)N)n3)ccc2C)cc1C1(F)COC1.
What is the InChIKey of 6-(2-aminopropan-2-yl)-N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is DOOWDDPVOCZNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F4N4O3/c1-14-5-6-17(10-18(14)15-7-19(23(36-4)32-11-15)25(27)12-37-13-25)33-22(35)20-8-16(26(28,29)30)9-21(34-20)24(2,3)31/h5-11H,12-13,31H2,1-4H3,(H,33,35).
What are the key properties of 6-(2-aminopropan-2-yl)-N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
6-(2-aminopropan-2-yl)-N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 518.51 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropan-2-yl)-N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 135138998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).