3-N-(3-methoxypropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide

C18H18F3N3O3 — CID 109103680

IUPAC3-N-(3-methoxypropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
SMILESCOCCCNC(=O)c1cncc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H18F3N3O3/c1-27-8-2-7-23-16(25)12-9-13(11-22-10-12)17(26)24-15-5-3-14(4-6-15)18(19,20)21/h3-6,9-11H,2,7-8H2,1H3,(H,23,25)(H,24,26)
InChIKeyWPOVXRAVEONHFO-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.12
Rot. Bonds7

About 3-N-(3-methoxypropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide

3-N-(3-methoxypropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide (PubChem CID 109103680) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is 3-N-(3-methoxypropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-methoxypropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
PubChem CID109103680
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC Name3-N-(3-methoxypropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
SMILESCOCCCNC(=O)c1cncc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H18F3N3O3/c1-27-8-2-7-23-16(25)12-9-13(11-22-10-12)17(26)24-15-5-3-14(4-6-15)18(19,20)21/h3-6,9-11H,2,7-8H2,1H3,(H,23,25)(H,24,26)
InChIKeyWPOVXRAVEONHFO-UHFFFAOYSA-N
XLogP3.12
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.12
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

N-(3-methoxypropyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109228132
5-N-(4-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103654
3-N-(3-methylbutyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109107173
3-N-(2-methylpropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109102234
3-N-(3-methoxypropyl)-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-dicarboxamide
CID 109103690
5-N-(2,6-difluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103717
3-N-benzyl-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109105061
5-N-(2-fluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103653
5-N-(4-tert-butylphenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101242
5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109228264
N-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide
CID 112980946
3-N-(2-methoxyethyl)-5-N-(4-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109103509

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methoxypropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(3-methoxypropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide (CID 109103680) is 3-N-(3-methoxypropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(3-methoxypropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(3-methoxypropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide is COCCCNC(=O)c1cncc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-N-(3-methoxypropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
The InChIKey is WPOVXRAVEONHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c1-27-8-2-7-23-16(25)12-9-13(11-22-10-12)17(26)24-15-5-3-14(4-6-15)18(19,20)21/h3-6,9-11H,2,7-8H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-N-(3-methoxypropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide?
3-N-(3-methoxypropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide has a molecular weight of 381.35 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methoxypropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109103680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).