4-N-cyclopentyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide

C19H18F3N3O2 — CID 109080812

IUPAC4-N-cyclopentyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
SMILESO=C(NC1CCCC1)c1ccnc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H18F3N3O2/c20-19(21,22)13-4-3-7-15(11-13)25-18(27)16-10-12(8-9-23-16)17(26)24-14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6H2,(H,24,26)(H,25,27)
InChIKeyCHJZOSHXPFNMJT-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.03
Rot. Bonds4

About 4-N-cyclopentyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide

4-N-cyclopentyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide (PubChem CID 109080812) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 4-N-cyclopentyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclopentyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
PubChem CID109080812
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name4-N-cyclopentyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
SMILESO=C(NC1CCCC1)c1ccnc(C(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H18F3N3O2/c20-19(21,22)13-4-3-7-15(11-13)25-18(27)16-10-12(8-9-23-16)17(26)24-14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6H2,(H,24,26)(H,25,27)
InChIKeyCHJZOSHXPFNMJT-UHFFFAOYSA-N
XLogP4.03
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-cyclohexyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109095374
2-N-(3-acetylphenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080814
2-N-cyclohexyl-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109081616
2-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091236
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078576
1-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043396
6-N-cyclopropyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093945
4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080981
2-N-(3-chloro-4-fluorophenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080795
2-N-cyclopropyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109078757
4-N-cyclopentyl-2-N-(2,6-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109080842
2-N-(3-chloro-4-fluorophenyl)-4-N-cycloheptylpyridine-2,4-dicarboxamide
CID 109089398

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-cyclopentyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide (CID 109080812) is 4-N-cyclopentyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclopentyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-cyclopentyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide is O=C(NC1CCCC1)c1ccnc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 4-N-cyclopentyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide?
The InChIKey is CHJZOSHXPFNMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c20-19(21,22)13-4-3-7-15(11-13)25-18(27)16-10-12(8-9-23-16)17(26)24-14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6H2,(H,24,26)(H,25,27).
What are the key properties of 4-N-cyclopentyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide?
4-N-cyclopentyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide has a molecular weight of 377.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109080812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).