2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methyl-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide

C20H22F3N3O4 — CID 67510320

IUPAC2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methyl-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(OC(F)(F)F)c(C)c2)cc(NC(=O)C(C)(C)O)n1
InChIInChI=1S/C20H22F3N3O4/c1-11-7-13(5-6-15(11)30-20(21,22)23)10-24-17(27)14-8-12(2)25-16(9-14)26-18(28)19(3,4)29/h5-9,29H,10H2,1-4H3,(H,24,27)(H,25,26,28)
InChIKeyFXNYALAJUUBYLU-UHFFFAOYSA-N
MW425.41 g/mol
LogP3.24
Rot. Bonds6

About 2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methyl-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide

2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methyl-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 67510320) has the molecular formula C20H22F3N3O4 and a molecular weight of 425.41 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methyl-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methyl-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
PubChem CID67510320
Molecular FormulaC20H22F3N3O4
Molecular Weight425.41 g/mol
Exact Mass425.16
IUPAC Name2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methyl-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(OC(F)(F)F)c(C)c2)cc(NC(=O)C(C)(C)O)n1
InChIInChI=1S/C20H22F3N3O4/c1-11-7-13(5-6-15(11)30-20(21,22)23)10-24-17(27)14-8-12(2)25-16(9-14)26-18(28)19(3,4)29/h5-9,29H,10H2,1-4H3,(H,24,27)(H,25,26,28)
InChIKeyFXNYALAJUUBYLU-UHFFFAOYSA-N
XLogP3.24
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methyl-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

2-methyl-6-(2-methylpropanoylamino)-N-[[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 67511532
2-acetamido-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-6-methylpyridine-4-carboxamide
CID 67511302
2-(3-methyl-2-oxobutyl)-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 149184622
2-acetamido-N-[2-[3-fluoro-4-(trifluoromethoxy)phenoxy]ethyl]-6-methylpyridine-4-carboxamide
CID 137368022
N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67509543
2-acetamido-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67510299
2-methyl-6-(2-methylpropanoylamino)-N-[[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 87426679
N-[4-[cyclopropylidene(hydroxy)methyl]-6-methyl-2-pyridinyl]-2-hydroxy-2-methylpropanamide
CID 69087854
N-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 77087853
2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67510173
N-[[2-fluoro-3-(trifluoromethoxy)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 158165691
2-acetamido-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide
CID 67509549

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methyl-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methyl-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide (CID 67510320) is 2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methyl-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methyl-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methyl-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide is Cc1cc(C(=O)NCc2ccc(OC(F)(F)F)c(C)c2)cc(NC(=O)C(C)(C)O)n1.
What is the InChIKey of 2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methyl-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is FXNYALAJUUBYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O4/c1-11-7-13(5-6-15(11)30-20(21,22)23)10-24-17(27)14-8-12(2)25-16(9-14)26-18(28)19(3,4)29/h5-9,29H,10H2,1-4H3,(H,24,27)(H,25,26,28).
What are the key properties of 2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methyl-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide?
2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methyl-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 425.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylpropanoyl)amino]-6-methyl-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 67510320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).