6-(butylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C17H17ClF3N3O — CID 109151662

IUPAC6-(butylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H17ClF3N3O/c1-2-3-8-22-15-7-4-11(10-23-15)16(25)24-12-5-6-14(18)13(9-12)17(19,20)21/h4-7,9-10H,2-3,8H2,1H3,(H,22,23)(H,24,25)
InChIKeyILMHTEFMJCVXCL-UHFFFAOYSA-N
MW371.79 g/mol
LogP5.22
Rot. Bonds6

About 6-(butylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

6-(butylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 109151662) has the molecular formula C17H17ClF3N3O and a molecular weight of 371.79 g/mol. Its IUPAC name is 6-(butylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(butylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID109151662
Molecular FormulaC17H17ClF3N3O
Molecular Weight371.79 g/mol
Exact Mass371.10
IUPAC Name6-(butylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H17ClF3N3O/c1-2-3-8-22-15-7-4-11(10-23-15)16(25)24-12-5-6-14(18)13(9-12)17(19,20)21/h4-7,9-10H,2-3,8H2,1H3,(H,22,23)(H,24,25)
InChIKeyILMHTEFMJCVXCL-UHFFFAOYSA-N
XLogP5.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.79
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161313
N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide
CID 109151637
N-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 107616648
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(diethylamino)pyrimidine-5-carboxamide
CID 109262564
N-butyl-4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 139036224
3,4-dichloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
CID 113030403
6-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153417
N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide
CID 113009468
N-(3-chloro-4-methylphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62184769
N-(3,5-dimethylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161304
N-(3,4-difluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166701
6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153089

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(butylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 109151662) is 6-(butylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(butylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(butylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CCCCNc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cn1.
What is the InChIKey of 6-(butylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is ILMHTEFMJCVXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O/c1-2-3-8-22-15-7-4-11(10-23-15)16(25)24-12-5-6-14(18)13(9-12)17(19,20)21/h4-7,9-10H,2-3,8H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 6-(butylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-(butylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 371.79 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 109151662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).