4-methyl-6-morpholin-4-yl-2-propan-2-yl-N-(4,4,4-trifluoro-3-hydroxybutyl)pyridine-3-carboxamide

C18H26F3N3O3 — CID 70816827

IUPAC4-methyl-6-morpholin-4-yl-2-propan-2-yl-N-(4,4,4-trifluoro-3-hydroxybutyl)pyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(C(C)C)c1C(=O)NCCC(O)C(F)(F)F
InChIInChI=1S/C18H26F3N3O3/c1-11(2)16-15(17(26)22-5-4-13(25)18(19,20)21)12(3)10-14(23-16)24-6-8-27-9-7-24/h10-11,13,25H,4-9H2,1-3H3,(H,22,26)
InChIKeyFUWBUNNXYWGEHQ-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.39
Rot. Bonds6

About 4-methyl-6-morpholin-4-yl-2-propan-2-yl-N-(4,4,4-trifluoro-3-hydroxybutyl)pyridine-3-carboxamide

4-methyl-6-morpholin-4-yl-2-propan-2-yl-N-(4,4,4-trifluoro-3-hydroxybutyl)pyridine-3-carboxamide (PubChem CID 70816827) has the molecular formula C18H26F3N3O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 4-methyl-6-morpholin-4-yl-2-propan-2-yl-N-(4,4,4-trifluoro-3-hydroxybutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-6-morpholin-4-yl-2-propan-2-yl-N-(4,4,4-trifluoro-3-hydroxybutyl)pyridine-3-carboxamide
PubChem CID70816827
Molecular FormulaC18H26F3N3O3
Molecular Weight389.42 g/mol
Exact Mass389.19
IUPAC Name4-methyl-6-morpholin-4-yl-2-propan-2-yl-N-(4,4,4-trifluoro-3-hydroxybutyl)pyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(C(C)C)c1C(=O)NCCC(O)C(F)(F)F
InChIInChI=1S/C18H26F3N3O3/c1-11(2)16-15(17(26)22-5-4-13(25)18(19,20)21)12(3)10-14(23-16)24-6-8-27-9-7-24/h10-11,13,25H,4-9H2,1-3H3,(H,22,26)
InChIKeyFUWBUNNXYWGEHQ-UHFFFAOYSA-N
XLogP2.39
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-6-morpholin-4-yl-2-propan-2-yl-N-(4,4,4-trifluoro-3-hydroxybutyl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(3-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-2-propyl-pyridine-3-carboxylic acid amide
CID 67286956
2-cyclopropyl-N-[[(1S,2R)-2-hydroxy-cyclohexyl]-methyl]-4-methyl-6-morpholin-4-yl-pyridine-3-carboxylic acid amide
CID 70816915
8-(4-morpholin-4-ylanilino)-6-(2,2,2-trifluoroethylamino)-2H-2,7-naphthyridin-1-one
CID 58094024
5-[[(2S)-2,3-dihydroxypropyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959333
5-(3-Hydroxypropylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959706
5-[[(2R)-2,3-dihydroxypropyl]amino]-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 66959825
US11072585, Example 107
CID 122516841
[3-[[[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]amino]methyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone;hydrochloride
CID 122517025
US11072585, Example 105
CID 122517026
2-[(2-Hydroxyethyl)amino]-6-phenyl-4-(trifluoromethyl)nicotinamide
CID 2200195
6-methyl-2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 126469756
N-(2-acetamidoethyl)-6-methyl-2-morpholin-4-ylpyridine-3-carboxamide
CID 126472029

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-morpholin-4-yl-2-propan-2-yl-N-(4,4,4-trifluoro-3-hydroxybutyl)pyridine-3-carboxamide?
The IUPAC name of 4-methyl-6-morpholin-4-yl-2-propan-2-yl-N-(4,4,4-trifluoro-3-hydroxybutyl)pyridine-3-carboxamide (CID 70816827) is 4-methyl-6-morpholin-4-yl-2-propan-2-yl-N-(4,4,4-trifluoro-3-hydroxybutyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-6-morpholin-4-yl-2-propan-2-yl-N-(4,4,4-trifluoro-3-hydroxybutyl)pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-6-morpholin-4-yl-2-propan-2-yl-N-(4,4,4-trifluoro-3-hydroxybutyl)pyridine-3-carboxamide is Cc1cc(N2CCOCC2)nc(C(C)C)c1C(=O)NCCC(O)C(F)(F)F.
What is the InChIKey of 4-methyl-6-morpholin-4-yl-2-propan-2-yl-N-(4,4,4-trifluoro-3-hydroxybutyl)pyridine-3-carboxamide?
The InChIKey is FUWBUNNXYWGEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O3/c1-11(2)16-15(17(26)22-5-4-13(25)18(19,20)21)12(3)10-14(23-16)24-6-8-27-9-7-24/h10-11,13,25H,4-9H2,1-3H3,(H,22,26).
What are the key properties of 4-methyl-6-morpholin-4-yl-2-propan-2-yl-N-(4,4,4-trifluoro-3-hydroxybutyl)pyridine-3-carboxamide?
4-methyl-6-morpholin-4-yl-2-propan-2-yl-N-(4,4,4-trifluoro-3-hydroxybutyl)pyridine-3-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-morpholin-4-yl-2-propan-2-yl-N-(4,4,4-trifluoro-3-hydroxybutyl)pyridine-3-carboxamide is sourced from PubChem (CID 70816827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).