4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C16H16F3N3O — CID 109201247

IUPAC4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H16F3N3O/c1-2-8-20-13-7-9-21-14(10-13)15(23)22-12-5-3-11(4-6-12)16(17,18)19/h3-7,9-10H,2,8H2,1H3,(H,20,21)(H,22,23)
InChIKeyJGZUZNJKPFIQLP-UHFFFAOYSA-N
MW323.32 g/mol
LogP4.17
Rot. Bonds5

About 4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 109201247) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID109201247
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H16F3N3O/c1-2-8-20-13-7-9-21-14(10-13)15(23)22-12-5-3-11(4-6-12)16(17,18)19/h3-7,9-10H,2,8H2,1H3,(H,20,21)(H,22,23)
InChIKeyJGZUZNJKPFIQLP-UHFFFAOYSA-N
XLogP4.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201249
4-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109213710
N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62173356
4-(pyridin-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109212905
N-(4-tert-butylphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide
CID 109217414
4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62172967
N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 63499869
N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109221654
N-(3-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 107578587
N-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 107370428
N-(2,6-difluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62165268
4-(propylamino)-N-pyridin-2-ylpyridine-2-carboxamide
CID 55042694

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 109201247) is 4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is CCCNc1ccnc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is JGZUZNJKPFIQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-2-8-20-13-7-9-21-14(10-13)15(23)22-12-5-3-11(4-6-12)16(17,18)19/h3-7,9-10H,2,8H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 323.32 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109201247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).