3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide

C16H14F3N3O2 — CID 109101322

IUPAC3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide
SMILESCCCNC(=O)c1cncc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C16H14F3N3O2/c1-2-5-21-15(23)9-6-10(8-20-7-9)16(24)22-12-4-3-11(17)13(18)14(12)19/h3-4,6-8H,2,5H2,1H3,(H,21,23)(H,22,24)
InChIKeyFMXOCHCPCINMGH-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.89
Rot. Bonds5

About 3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide

3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide (PubChem CID 109101322) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide
PubChem CID109101322
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide
SMILESCCCNC(=O)c1cncc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C16H14F3N3O2/c1-2-5-21-15(23)9-6-10(8-20-7-9)16(24)22-12-4-3-11(17)13(18)14(12)19/h3-4,6-8H,2,5H2,1H3,(H,21,23)(H,22,24)
InChIKeyFMXOCHCPCINMGH-UHFFFAOYSA-N
XLogP2.89
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-N-benzyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide
CID 109105080
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
1-N-pentyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
CID 109056346
3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109102018
5-[2-(dimethylamino)ethylamino]-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109229444
5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101245
5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109242185
5-N-(2,4-dimethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101267
5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide
CID 109107296
3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109102080
5-(2-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109241821
5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109230711

Frequently Asked Questions

What is the IUPAC name of 3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide (CID 109101322) is 3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide is CCCNC(=O)c1cncc(C(=O)Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of 3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide?
The InChIKey is FMXOCHCPCINMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c1-2-5-21-15(23)9-6-10(8-20-7-9)16(24)22-12-4-3-11(17)13(18)14(12)19/h3-4,6-8H,2,5H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide?
3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide has a molecular weight of 337.30 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109101322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).