N-[2-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide

C20H21ClF3N3O3 — CID 142503885

IUPACN-[2-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCOc2cc(C(F)(F)F)ccc2Cl)cc(NC(=O)C(C)C)n1
InChIInChI=1S/C20H21ClF3N3O3/c1-11(2)18(28)27-17-9-13(8-12(3)26-17)19(29)25-6-7-30-16-10-14(20(22,23)24)4-5-15(16)21/h4-5,8-11H,6-7H2,1-3H3,(H,25,29)(H,26,27,28)
InChIKeyLYNHPBVPUBKINK-UHFFFAOYSA-N
MW443.85 g/mol
LogP4.47
Rot. Bonds7

About N-[2-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide

N-[2-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide (PubChem CID 142503885) has the molecular formula C20H21ClF3N3O3 and a molecular weight of 443.85 g/mol. Its IUPAC name is N-[2-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
PubChem CID142503885
Molecular FormulaC20H21ClF3N3O3
Molecular Weight443.85 g/mol
Exact Mass443.12
IUPAC NameN-[2-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCOc2cc(C(F)(F)F)ccc2Cl)cc(NC(=O)C(C)C)n1
InChIInChI=1S/C20H21ClF3N3O3/c1-11(2)18(28)27-17-9-13(8-12(3)26-17)19(29)25-6-7-30-16-10-14(20(22,23)24)4-5-15(16)21/h4-5,8-11H,6-7H2,1-3H3,(H,25,29)(H,26,27,28)
InChIKeyLYNHPBVPUBKINK-UHFFFAOYSA-N
XLogP4.47
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.85
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-6-methylpyridine-4-carboxamide
CID 142503790
2-(2-methylpropanoylamino)-N-[2-[2-methyl-4-(trifluoromethyl)phenoxy]ethyl]pyridine-4-carboxamide
CID 142503801
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510089
N-[2-[2-methoxy-4-(trifluoromethyl)phenoxy]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 137368007
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 113102845
2-methyl-6-(propanoylamino)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridine-4-carboxamide
CID 142503774
N-[2-[4-chloro-3-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 142503824
2-methyl-6-(2-methylpropanoylamino)-N-[[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 67511532
N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67509543
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
2-methyl-6-(2-methylpropanoylamino)-N-[[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 87426679
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-methyl-2-(2-methylpropanoylamino)pyrimidine-4-carboxamide
CID 142503841

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide (CID 142503885) is N-[2-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide is Cc1cc(C(=O)NCCOc2cc(C(F)(F)F)ccc2Cl)cc(NC(=O)C(C)C)n1.
What is the InChIKey of N-[2-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide?
The InChIKey is LYNHPBVPUBKINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O3/c1-11(2)18(28)27-17-9-13(8-12(3)26-17)19(29)25-6-7-30-16-10-14(20(22,23)24)4-5-15(16)21/h4-5,8-11H,6-7H2,1-3H3,(H,25,29)(H,26,27,28).
What are the key properties of N-[2-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide?
N-[2-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide has a molecular weight of 443.85 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide is sourced from PubChem (CID 142503885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).