2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide

C18H15F4N3O2 — CID 67509417

IUPAC2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(F)c(C(F)(F)F)c1)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C18H15F4N3O2/c19-14-4-1-10(7-13(14)18(20,21)22)9-24-16(26)12-5-6-23-15(8-12)25-17(27)11-2-3-11/h1,4-8,11H,2-3,9H2,(H,24,26)(H,23,25,27)
InChIKeyOFWZLZFHMFVDFN-UHFFFAOYSA-N
MW381.33 g/mol
LogP3.52
Rot. Bonds5

About 2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide

2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 67509417) has the molecular formula C18H15F4N3O2 and a molecular weight of 381.33 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID67509417
Molecular FormulaC18H15F4N3O2
Molecular Weight381.33 g/mol
Exact Mass381.11
IUPAC Name2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(F)c(C(F)(F)F)c1)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C18H15F4N3O2/c19-14-4-1-10(7-13(14)18(20,21)22)9-24-16(26)12-5-6-23-15(8-12)25-17(27)11-2-3-11/h1,4-8,11H,2-3,9H2,(H,24,26)(H,23,25,27)
InChIKeyOFWZLZFHMFVDFN-UHFFFAOYSA-N
XLogP3.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide
CID 67509993
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510384
2-(cyclopropanecarbonylamino)-N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-4-carboxamide
CID 138989575
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962
2-(cyclopropanecarbonylamino)-N-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridine-4-carboxamide
CID 138997636
2-(cyclopropanecarbonylamino)-N-[2-(furan-2-carbonylamino)ethyl]pyridine-4-carboxamide
CID 138989560
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-(propanoylamino)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridine-4-carboxamide
CID 56966803
2-(2-cyclopropyl-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 149457957
2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-2-oxo-1H-pyridin-3-yl]methyl]pyridine-4-carboxamide
CID 87688831
2-(3,4-difluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169969
2-(cyclopropanecarbonylamino)-N-[2-[2-fluoro-3-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxyethyl]pyridine-4-carboxamide
CID 163579138

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide (CID 67509417) is 2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide is O=C(NCc1ccc(F)c(C(F)(F)F)c1)c1ccnc(NC(=O)C2CC2)c1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is OFWZLZFHMFVDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N3O2/c19-14-4-1-10(7-13(14)18(20,21)22)9-24-16(26)12-5-6-23-15(8-12)25-17(27)11-2-3-11/h1,4-8,11H,2-3,9H2,(H,24,26)(H,23,25,27).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 381.33 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 67509417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).