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

C19H11F3N4O — CID 109222708

IUPAC4-(2-cyanoanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESN#Cc1ccccc1Nc1ccnc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C19H11F3N4O/c20-13-5-6-15(18(22)17(13)21)26-19(27)16-9-12(7-8-24-16)25-14-4-2-1-3-11(14)10-23/h1-9H,(H,24,25)(H,26,27)
InChIKeyTWOGQZDRVUVNLW-UHFFFAOYSA-N
MW368.32 g/mol
LogP4.37
Rot. Bonds4

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

4-(2-cyanoanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (PubChem CID 109222708) has the molecular formula C19H11F3N4O and a molecular weight of 368.32 g/mol. Its IUPAC name is 4-(2-cyanoanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-cyanoanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
PubChem CID109222708
Molecular FormulaC19H11F3N4O
Molecular Weight368.32 g/mol
Exact Mass368.09
IUPAC Name4-(2-cyanoanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESN#Cc1ccccc1Nc1ccnc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C19H11F3N4O/c20-13-5-6-15(18(22)17(13)21)26-19(27)16-9-12(7-8-24-16)25-14-4-2-1-3-11(14)10-23/h1-9H,(H,24,25)(H,26,27)
InChIKeyTWOGQZDRVUVNLW-UHFFFAOYSA-N
XLogP4.37
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222697
4-N-(2-cyanophenyl)-2-N-(2,3,4-trifluorophenyl)pyridine-2,4-dicarboxamide
CID 109093370
N-(4-chloro-2-methylphenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide
CID 109221213
4-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109221189
4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109222592
N-(2-cyanophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109222061
4-(2-cyanoanilino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219956
4-(2-cyanoanilino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109219824
N-(2-cyanophenyl)-4-(2,3-dichloroanilino)pyridine-2-carboxamide
CID 109222663
N-(2-cyanophenyl)-4-(2-ethylanilino)pyridine-2-carboxamide
CID 109220187
4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219127
N-(3-bromophenyl)-4-(2-cyanoanilino)pyridine-2-carboxamide
CID 109222479

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanoanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2-cyanoanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (CID 109222708) is 4-(2-cyanoanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-cyanoanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-cyanoanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is N#Cc1ccccc1Nc1ccnc(C(=O)Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of 4-(2-cyanoanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The InChIKey is TWOGQZDRVUVNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N4O/c20-13-5-6-15(18(22)17(13)21)26-19(27)16-9-12(7-8-24-16)25-14-4-2-1-3-11(14)10-23/h1-9H,(H,24,25)(H,26,27).
What are the key properties of 4-(2-cyanoanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
4-(2-cyanoanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide has a molecular weight of 368.32 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanoanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109222708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).