4-(3-acetamido-5-chloro-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide

About 4-(3-acetamido-5-chloro-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide

4-(3-acetamido-5-chloro-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide (PubChem CID 143152745) has the molecular formula C28H29ClFN5O4 and a molecular weight of 554.02 g/mol. Its IUPAC name is 4-(3-acetamido-5-chloro-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name	4-(3-acetamido-5-chloro-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide
PubChem CID	143152745
Molecular Formula	C28H29ClFN5O4
Molecular Weight	554.02 g/mol
Exact Mass	553.19
IUPAC Name	4-(3-acetamido-5-chloro-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide
SMILES	CC(=O)Nc1cc(Cl)cc(N(C=O)c2c(C(=O)N(C)C3CC3)c(Nc3ccc(C)cc3F)n(C)c(=O)c2C)c1
InChI	InChI=1S/C28H29ClFN5O4/c1-15-6-9-23(22(30)10-15)32-26-24(28(39)33(4)20-7-8-20)25(16(2)27(38)34(26)5)35(14-36)21-12-18(29)11-19(13-21)31-17(3)37/h6,9-14,20,32H,7-8H2,1-5H3,(H,31,37)
InChIKey	ZNGPDYUDLYFBQE-UHFFFAOYSA-N
XLogP	5.03
TPSA	103.75 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.02
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
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-acetamido-5-chloro-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide?

The IUPAC name of 4-(3-acetamido-5-chloro-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide (CID 143152745) is 4-(3-acetamido-5-chloro-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide.

What is the SMILES notation for 4-(3-acetamido-5-chloro-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide?

The canonical SMILES for 4-(3-acetamido-5-chloro-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide is CC(=O)Nc1cc(Cl)cc(N(C=O)c2c(C(=O)N(C)C3CC3)c(Nc3ccc(C)cc3F)n(C)c(=O)c2C)c1.

What is the InChIKey of 4-(3-acetamido-5-chloro-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide?

The InChIKey is ZNGPDYUDLYFBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClFN5O4/c1-15-6-9-23(22(30)10-15)32-26-24(28(39)33(4)20-7-8-20)25(16(2)27(38)34(26)5)35(14-36)21-12-18(29)11-19(13-21)31-17(3)37/h6,9-14,20,32H,7-8H2,1-5H3,(H,31,37).

What are the key properties of 4-(3-acetamido-5-chloro-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide?

4-(3-acetamido-5-chloro-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 554.02 g/mol, XLogP of 5.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-acetamido-5-chloro-N-formylanilino)-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-N,1,5-trimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 143152745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).