4-[3-(azetidine-3-carbonylamino)-N-formylanilino]-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane

About 4-[3-(azetidine-3-carbonylamino)-N-formylanilino]-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane

4-[3-(azetidine-3-carbonylamino)-N-formylanilino]-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane (PubChem CID 155743883) has the molecular formula C32H39FN6O4 and a molecular weight of 590.70 g/mol. Its IUPAC name is 4-[3-(azetidine-3-carbonylamino)-N-formylanilino]-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name	4-[3-(azetidine-3-carbonylamino)-N-formylanilino]-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane
PubChem CID	155743883
Molecular Formula	C32H39FN6O4
Molecular Weight	590.70 g/mol
Exact Mass	590.30
IUPAC Name	4-[3-(azetidine-3-carbonylamino)-N-formylanilino]-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane
SMILES	CC.Cc1ccc(Nc2c(C(=O)N(C)C3CC3)c(N(C=O)c3cccc(NC(=O)C4CNC4)c3)c(C)c(=O)n2C)c(F)c1
InChI	InChI=1S/C30H33FN6O4.C2H6/c1-17-8-11-24(23(31)12-17)34-27-25(30(41)35(3)21-9-10-21)26(18(2)29(40)36(27)4)37(16-38)22-7-5-6-20(13-22)33-28(39)19-14-32-15-19;1-2/h5-8,11-13,16,19,21,32,34H,9-10,14-15H2,1-4H3,(H,33,39);1-2H3
InChIKey	AQHGCSQTEDCYID-UHFFFAOYSA-N
XLogP	4.60
TPSA	115.78 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	9
Heavy Atoms	43
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.70
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[3-(azetidine-3-carbonylamino)-N-formylanilino]-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane?

The IUPAC name of 4-[3-(azetidine-3-carbonylamino)-N-formylanilino]-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane (CID 155743883) is 4-[3-(azetidine-3-carbonylamino)-N-formylanilino]-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane.

What is the SMILES notation for 4-[3-(azetidine-3-carbonylamino)-N-formylanilino]-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane?

The canonical SMILES for 4-[3-(azetidine-3-carbonylamino)-N-formylanilino]-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane is CC.Cc1ccc(Nc2c(C(=O)N(C)C3CC3)c(N(C=O)c3cccc(NC(=O)C4CNC4)c3)c(C)c(=O)n2C)c(F)c1.

What is the InChIKey of 4-[3-(azetidine-3-carbonylamino)-N-formylanilino]-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane?

The InChIKey is AQHGCSQTEDCYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN6O4.C2H6/c1-17-8-11-24(23(31)12-17)34-27-25(30(41)35(3)21-9-10-21)26(18(2)29(40)36(27)4)37(16-38)22-7-5-6-20(13-22)33-28(39)19-14-32-15-19;1-2/h5-8,11-13,16,19,21,32,34H,9-10,14-15H2,1-4H3,(H,33,39);1-2H3.

What are the key properties of 4-[3-(azetidine-3-carbonylamino)-N-formylanilino]-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane?

4-[3-(azetidine-3-carbonylamino)-N-formylanilino]-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane has a molecular weight of 590.70 g/mol, XLogP of 4.60, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(azetidine-3-carbonylamino)-N-formylanilino]-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane is sourced from PubChem (CID 155743883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).