N-[2-[2-methoxy-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide

C20H22F3N3O4 — CID 137368007

IUPACN-[2-[2-methoxy-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
SMILESCOc1cc(C(F)(F)F)ccc1OCCNC(=O)c1ccnc(NC(=O)C(C)C)c1
InChIInChI=1S/C20H22F3N3O4/c1-12(2)18(27)26-17-10-13(6-7-24-17)19(28)25-8-9-30-15-5-4-14(20(21,22)23)11-16(15)29-3/h4-7,10-12H,8-9H2,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyRZLYOZWSIJRGSK-UHFFFAOYSA-N
MW425.41 g/mol
LogP3.51
Rot. Bonds8

About N-[2-[2-methoxy-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide

N-[2-[2-methoxy-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide (PubChem CID 137368007) has the molecular formula C20H22F3N3O4 and a molecular weight of 425.41 g/mol. Its IUPAC name is N-[2-[2-methoxy-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-methoxy-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
PubChem CID137368007
Molecular FormulaC20H22F3N3O4
Molecular Weight425.41 g/mol
Exact Mass425.16
IUPAC NameN-[2-[2-methoxy-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
SMILESCOc1cc(C(F)(F)F)ccc1OCCNC(=O)c1ccnc(NC(=O)C(C)C)c1
InChIInChI=1S/C20H22F3N3O4/c1-12(2)18(27)26-17-10-13(6-7-24-17)19(28)25-8-9-30-15-5-4-14(20(21,22)23)11-16(15)29-3/h4-7,10-12H,8-9H2,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyRZLYOZWSIJRGSK-UHFFFAOYSA-N
XLogP3.51
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpropanoylamino)-N-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide
CID 142503801
2-(cyclopropanecarbonylamino)-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide;N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 155408184
N-[[4-(2,2-difluorobutoxy)-3-methoxyphenyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 162566329
N-[2-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 142503885
N-[2-[1-formyl-6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxyethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 155407777
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109166817
2-(2-methylpropanoylamino)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 162566186
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510384
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510188
2-(2-methylpropanoylamino)-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509985
2-acetamido-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-6-methylpyridine-4-carboxamide
CID 142503790
2-acetamido-N-[[4-(2,2-difluoropropoxy)-3-methoxyphenyl]methyl]pyridine-4-carboxamide
CID 162566379

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methoxy-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-[2-methoxy-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide (CID 137368007) is N-[2-[2-methoxy-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[2-methoxy-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-[2-methoxy-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide is COc1cc(C(F)(F)F)ccc1OCCNC(=O)c1ccnc(NC(=O)C(C)C)c1.
What is the InChIKey of N-[2-[2-methoxy-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?
The InChIKey is RZLYOZWSIJRGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O4/c1-12(2)18(27)26-17-10-13(6-7-24-17)19(28)25-8-9-30-15-5-4-14(20(21,22)23)11-16(15)29-3/h4-7,10-12H,8-9H2,1-3H3,(H,25,28)(H,24,26,27).
What are the key properties of N-[2-[2-methoxy-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide?
N-[2-[2-methoxy-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide has a molecular weight of 425.41 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methoxy-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide is sourced from PubChem (CID 137368007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).