6-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-3-carboxamide

C17H17ClF3N3O2 — CID 109153417

IUPAC6-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc1
InChIInChI=1S/C17H17ClF3N3O2/c1-26-8-2-7-22-16(25)11-3-6-15(23-10-11)24-12-4-5-14(18)13(9-12)17(19,20)21/h3-6,9-10H,2,7-8H2,1H3,(H,22,25)(H,23,24)
InChIKeySDXCOHYARYRVMO-UHFFFAOYSA-N
MW387.79 g/mol
LogP4.26
Rot. Bonds7

About 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-3-carboxamide

6-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-3-carboxamide (PubChem CID 109153417) has the molecular formula C17H17ClF3N3O2 and a molecular weight of 387.79 g/mol. Its IUPAC name is 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-3-carboxamide
PubChem CID109153417
Molecular FormulaC17H17ClF3N3O2
Molecular Weight387.79 g/mol
Exact Mass387.10
IUPAC Name6-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc1
InChIInChI=1S/C17H17ClF3N3O2/c1-26-8-2-7-22-16(25)11-3-6-15(23-10-11)24-12-4-5-14(18)13(9-12)17(19,20)21/h3-6,9-10H,2,7-8H2,1H3,(H,22,25)(H,23,24)
InChIKeySDXCOHYARYRVMO-UHFFFAOYSA-N
XLogP4.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.79
LogP ≤ 54.26
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

6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153089
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166847
6-[4-chloro-3-(trifluoromethyl)anilino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109155464
6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153423
methyl 3-[[5-(3-methoxypropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109153389
N-butyl-6-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide
CID 109151743
6-(butylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109151662
6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153355
N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109153038
5-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184357
5-[4-chloro-3-(trifluoromethyl)anilino]-N-propylpyridine-3-carboxamide
CID 109222936
N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]butanamide
CID 113022004

Frequently Asked Questions

What is the IUPAC name of 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-3-carboxamide (CID 109153417) is 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-3-carboxamide is COCCCNC(=O)c1ccc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc1.
What is the InChIKey of 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-3-carboxamide?
The InChIKey is SDXCOHYARYRVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O2/c1-26-8-2-7-22-16(25)11-3-6-15(23-10-11)24-12-4-5-14(18)13(9-12)17(19,20)21/h3-6,9-10H,2,7-8H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-3-carboxamide?
6-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-3-carboxamide has a molecular weight of 387.79 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 109153417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).