4-(1-phenylethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide

C20H16F3N3O — CID 109210872

IUPAC4-(1-phenylethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESCC(Nc1ccnc(C(=O)Nc2ccc(F)c(F)c2F)c1)c1ccccc1
InChIInChI=1S/C20H16F3N3O/c1-12(13-5-3-2-4-6-13)25-14-9-10-24-17(11-14)20(27)26-16-8-7-15(21)18(22)19(16)23/h2-12H,1H3,(H,24,25)(H,26,27)
InChIKeyCDMBPZLZZMKULY-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.92
Rot. Bonds5

About 4-(1-phenylethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide

4-(1-phenylethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (PubChem CID 109210872) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is 4-(1-phenylethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1-phenylethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
PubChem CID109210872
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name4-(1-phenylethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESCC(Nc1ccnc(C(=O)Nc2ccc(F)c(F)c2F)c1)c1ccccc1
InChIInChI=1S/C20H16F3N3O/c1-12(13-5-3-2-4-6-13)25-14-9-10-24-17(11-14)20(27)26-16-8-7-15(21)18(22)19(16)23/h2-12H,1H3,(H,24,25)(H,26,27)
InChIKeyCDMBPZLZZMKULY-UHFFFAOYSA-N
XLogP4.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210797
2-N-(1-phenylethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
CID 109086163
4-(tert-butylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109217060
N-(2-methoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210827
N-(2,6-dimethylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210807
N-(4-acetylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210842
4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 30430877
N-(4-ethoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210831
4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109222592
4-(2-cyanoanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109222708
4-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109204356
N-[(2-chlorophenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210753

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(1-phenylethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (CID 109210872) is 4-(1-phenylethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(1-phenylethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(1-phenylethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is CC(Nc1ccnc(C(=O)Nc2ccc(F)c(F)c2F)c1)c1ccccc1.
What is the InChIKey of 4-(1-phenylethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The InChIKey is CDMBPZLZZMKULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c1-12(13-5-3-2-4-6-13)25-14-9-10-24-17(11-14)20(27)26-16-8-7-15(21)18(22)19(16)23/h2-12H,1H3,(H,24,25)(H,26,27).
What are the key properties of 4-(1-phenylethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
4-(1-phenylethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109210872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).