N-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide

C19H17ClF3N3O4 — CID 142503787

IUPACN-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
SMILESO=C(NCCOc1ccc(OC(F)(F)F)cc1Cl)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H17ClF3N3O4/c20-14-10-13(30-19(21,22)23)3-4-15(14)29-8-7-25-17(27)12-5-6-24-16(9-12)26-18(28)11-1-2-11/h3-6,9-11H,1-2,7-8H2,(H,25,27)(H,24,26,28)
InChIKeyWVMRGACIPZFZCI-UHFFFAOYSA-N
MW443.81 g/mol
LogP3.79
Rot. Bonds8

About N-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide

N-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide (PubChem CID 142503787) has the molecular formula C19H17ClF3N3O4 and a molecular weight of 443.81 g/mol. Its IUPAC name is N-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
PubChem CID142503787
Molecular FormulaC19H17ClF3N3O4
Molecular Weight443.81 g/mol
Exact Mass443.09
IUPAC NameN-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
SMILESO=C(NCCOc1ccc(OC(F)(F)F)cc1Cl)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H17ClF3N3O4/c20-14-10-13(30-19(21,22)23)3-4-15(14)29-8-7-25-17(27)12-5-6-24-16(9-12)26-18(28)11-1-2-11/h3-6,9-11H,1-2,7-8H2,(H,25,27)(H,24,26,28)
InChIKeyWVMRGACIPZFZCI-UHFFFAOYSA-N
XLogP3.79
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.81
LogP ≤ 53.79
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-(cyclopropanecarbonylamino)-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridine-4-carboxamide
CID 138997636
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-[2-[2-chloro-4-(trifluoromethyl)phenoxy]ethyl]-2-(cyclopropanecarbonylamino)pyrimidine-4-carboxamide
CID 142503876
2-(cyclopropanecarbonylamino)-N-[2-[2-fluoro-3-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxyethyl]pyridine-4-carboxamide
CID 163579138
2-(cyclopropanecarbonylamino)-N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-4-carboxamide
CID 138989575
2-(cyclopropanecarbonylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyridin-5-yl]pyridine-4-carboxamide
CID 162571091
N-[2-(2-chloro-4-propan-2-yloxyphenoxy)ethyl]cyclopropanecarboxamide
CID 54403626
N-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-(2-cyclopropyl-2-oxoethyl)pyridine-4-carboxamide
CID 157131864
2-(cyclopropanecarbonylamino)-N-[2-(furan-2-carbonylamino)ethyl]pyridine-4-carboxamide
CID 138989560
4-[4-[2-[[3-chloro-4-(trifluoromethoxy)benzoyl]amino]ethylcarbamoyl]phenoxy]cyclohexane-1-carboxylic acid
CID 70840518
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166847
2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67509417

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide (CID 142503787) is N-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide is O=C(NCCOc1ccc(OC(F)(F)F)cc1Cl)c1ccnc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
The InChIKey is WVMRGACIPZFZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3O4/c20-14-10-13(30-19(21,22)23)3-4-15(14)29-8-7-25-17(27)12-5-6-24-16(9-12)26-18(28)11-1-2-11/h3-6,9-11H,1-2,7-8H2,(H,25,27)(H,24,26,28).
What are the key properties of N-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
N-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide has a molecular weight of 443.81 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]ethyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide is sourced from PubChem (CID 142503787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).