2-(dipropylamino)-N-hexylpyridine-4-carboxamide;1-[5-(hexylamino)-2-(trifluoromethyl)phenyl]-2-methylbutan-1-one

C36H57F3N4O2 — CID 143206082

IUPAC2-(dipropylamino)-N-hexylpyridine-4-carboxamide;1-[5-(hexylamino)-2-(trifluoromethyl)phenyl]-2-methylbutan-1-one
SMILESCCCCCCNC(=O)c1ccnc(N(CCC)CCC)c1.CCCCCCNc1ccc(C(F)(F)F)c(C(=O)C(C)CC)c1
InChIInChI=1S/C18H26F3NO.C18H31N3O/c1-4-6-7-8-11-22-14-9-10-16(18(19,20)21)15(12-14)17(23)13(3)5-2;1-4-7-8-9-11-20-18(22)16-10-12-19-17(15-16)21(13-5-2)14-6-3/h9-10,12-13,22H,4-8,11H2,1-3H3;10,12,15H,4-9,11,13-14H2,1-3H3,(H,20,22)
InChIKeyYGDNOJJLYHIFDR-UHFFFAOYSA-N
MW634.87 g/mol
LogP9.94
Rot. Bonds20

About 2-(dipropylamino)-N-hexylpyridine-4-carboxamide;1-[5-(hexylamino)-2-(trifluoromethyl)phenyl]-2-methylbutan-1-one

2-(dipropylamino)-N-hexylpyridine-4-carboxamide;1-[5-(hexylamino)-2-(trifluoromethyl)phenyl]-2-methylbutan-1-one (PubChem CID 143206082) has the molecular formula C36H57F3N4O2 and a molecular weight of 634.87 g/mol. Its IUPAC name is 2-(dipropylamino)-N-hexylpyridine-4-carboxamide;1-[5-(hexylamino)-2-(trifluoromethyl)phenyl]-2-methylbutan-1-one.

Molecular Properties

Compound Name2-(dipropylamino)-N-hexylpyridine-4-carboxamide;1-[5-(hexylamino)-2-(trifluoromethyl)phenyl]-2-methylbutan-1-one
PubChem CID143206082
Molecular FormulaC36H57F3N4O2
Molecular Weight634.87 g/mol
Exact Mass634.44
IUPAC Name2-(dipropylamino)-N-hexylpyridine-4-carboxamide;1-[5-(hexylamino)-2-(trifluoromethyl)phenyl]-2-methylbutan-1-one
SMILESCCCCCCNC(=O)c1ccnc(N(CCC)CCC)c1.CCCCCCNc1ccc(C(F)(F)F)c(C(=O)C(C)CC)c1
InChIInChI=1S/C18H26F3NO.C18H31N3O/c1-4-6-7-8-11-22-14-9-10-16(18(19,20)21)15(12-14)17(23)13(3)5-2;1-4-7-8-9-11-20-18(22)16-10-12-19-17(15-16)21(13-5-2)14-6-3/h9-10,12-13,22H,4-8,11H2,1-3H3;10,12,15H,4-9,11,13-14H2,1-3H3,(H,20,22)
InChIKeyYGDNOJJLYHIFDR-UHFFFAOYSA-N
XLogP9.94
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.87
LogP ≤ 59.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(dipropylamino)-N-hexylpyridine-4-carboxamide;1-[5-(hexylamino)-2-(trifluoromethyl)phenyl]-2-methylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-N-hexylpyridine-4-carboxamide;1-[5-(hexylamino)-2-(trifluoromethyl)phenyl]-2-methylbutan-1-one?
The IUPAC name of 2-(dipropylamino)-N-hexylpyridine-4-carboxamide;1-[5-(hexylamino)-2-(trifluoromethyl)phenyl]-2-methylbutan-1-one (CID 143206082) is 2-(dipropylamino)-N-hexylpyridine-4-carboxamide;1-[5-(hexylamino)-2-(trifluoromethyl)phenyl]-2-methylbutan-1-one.
What is the SMILES notation for 2-(dipropylamino)-N-hexylpyridine-4-carboxamide;1-[5-(hexylamino)-2-(trifluoromethyl)phenyl]-2-methylbutan-1-one?
The canonical SMILES for 2-(dipropylamino)-N-hexylpyridine-4-carboxamide;1-[5-(hexylamino)-2-(trifluoromethyl)phenyl]-2-methylbutan-1-one is CCCCCCNC(=O)c1ccnc(N(CCC)CCC)c1.CCCCCCNc1ccc(C(F)(F)F)c(C(=O)C(C)CC)c1.
What is the InChIKey of 2-(dipropylamino)-N-hexylpyridine-4-carboxamide;1-[5-(hexylamino)-2-(trifluoromethyl)phenyl]-2-methylbutan-1-one?
The InChIKey is YGDNOJJLYHIFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3NO.C18H31N3O/c1-4-6-7-8-11-22-14-9-10-16(18(19,20)21)15(12-14)17(23)13(3)5-2;1-4-7-8-9-11-20-18(22)16-10-12-19-17(15-16)21(13-5-2)14-6-3/h9-10,12-13,22H,4-8,11H2,1-3H3;10,12,15H,4-9,11,13-14H2,1-3H3,(H,20,22).
What are the key properties of 2-(dipropylamino)-N-hexylpyridine-4-carboxamide;1-[5-(hexylamino)-2-(trifluoromethyl)phenyl]-2-methylbutan-1-one?
2-(dipropylamino)-N-hexylpyridine-4-carboxamide;1-[5-(hexylamino)-2-(trifluoromethyl)phenyl]-2-methylbutan-1-one has a molecular weight of 634.87 g/mol, XLogP of 9.94, 20 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-N-hexylpyridine-4-carboxamide;1-[5-(hexylamino)-2-(trifluoromethyl)phenyl]-2-methylbutan-1-one is sourced from PubChem (CID 143206082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).