2-(dipropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide

C18H20F3N3O — CID 109175957

IUPAC2-(dipropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)Nc2ccc(F)c(F)c2F)ccn1
InChIInChI=1S/C18H20F3N3O/c1-3-9-24(10-4-2)15-11-12(7-8-22-15)18(25)23-14-6-5-13(19)16(20)17(14)21/h5-8,11H,3-4,9-10H2,1-2H3,(H,23,25)
InChIKeyKFAYBASAYJFQCI-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.38
Rot. Bonds7

About 2-(dipropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide

2-(dipropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide (PubChem CID 109175957) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-(dipropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(dipropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
PubChem CID109175957
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC Name2-(dipropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)Nc2ccc(F)c(F)c2F)ccn1
InChIInChI=1S/C18H20F3N3O/c1-3-9-24(10-4-2)15-11-12(7-8-22-15)18(25)23-14-6-5-13(19)16(20)17(14)21/h5-8,11H,3-4,9-10H2,1-2H3,(H,23,25)
InChIKeyKFAYBASAYJFQCI-UHFFFAOYSA-N
XLogP4.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(dipropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,4-difluorophenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175949
N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175912
2-amino-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 62151990
N-(4-bromophenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175913
N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175898
N-tert-butyl-2-(dipropylamino)pyridine-4-carboxamide
CID 109174998
2-(dipropylamino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109175918
4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109216613
N-[3-(dimethylamino)propyl]-2-(dipropylamino)pyridine-4-carboxamide
CID 109168202
2-(dipropylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109175938
2-(3-methoxypropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 109167315
4-N,4-N-dipropyl-6-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112864554

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(dipropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide (CID 109175957) is 2-(dipropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(dipropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(dipropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide is CCCN(CCC)c1cc(C(=O)Nc2ccc(F)c(F)c2F)ccn1.
What is the InChIKey of 2-(dipropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide?
The InChIKey is KFAYBASAYJFQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-3-9-24(10-4-2)15-11-12(7-8-22-15)18(25)23-14-6-5-13(19)16(20)17(14)21/h5-8,11H,3-4,9-10H2,1-2H3,(H,23,25).
What are the key properties of 2-(dipropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide?
2-(dipropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109175957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).