4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide

About 4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide

4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide (PubChem CID 155743964) has the molecular formula C29H34FN5O4 and a molecular weight of 535.62 g/mol. Its IUPAC name is 4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name	4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide
PubChem CID	155743964
Molecular Formula	C29H34FN5O4
Molecular Weight	535.62 g/mol
Exact Mass	535.26
IUPAC Name	4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide
SMILES	CCN(C)C(=O)c1c(N(C=O)c2cccc(CC(=O)N(C)C)c2)c(C)c(=O)n(C)c1Nc1ccc(C)cc1F
InChI	InChI=1S/C29H34FN5O4/c1-8-33(6)29(39)25-26(35(17-36)21-11-9-10-20(15-21)16-24(37)32(4)5)19(3)28(38)34(7)27(25)31-23-13-12-18(2)14-22(23)30/h9-15,17,31H,8,16H2,1-7H3
InChIKey	SKCKZZBCEIJSRZ-UHFFFAOYSA-N
XLogP	3.90
TPSA	94.96 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	9
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.62
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide?

The IUPAC name of 4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide (CID 155743964) is 4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide.

What is the SMILES notation for 4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide?

The canonical SMILES for 4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide is CCN(C)C(=O)c1c(N(C=O)c2cccc(CC(=O)N(C)C)c2)c(C)c(=O)n(C)c1Nc1ccc(C)cc1F.

What is the InChIKey of 4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide?

The InChIKey is SKCKZZBCEIJSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN5O4/c1-8-33(6)29(39)25-26(35(17-36)21-11-9-10-20(15-21)16-24(37)32(4)5)19(3)28(38)34(7)27(25)31-23-13-12-18(2)14-22(23)30/h9-15,17,31H,8,16H2,1-7H3.

What are the key properties of 4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide?

4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 535.62 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[2-(dimethylamino)-2-oxoethyl]-N-formylanilino]-N-ethyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 155743964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).