Skip to content

N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane

C31H38FN5O4 — CID 162531505

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane
SMILESCC.CCC(=O)Nc1cccc(N(C=O)c2c(C(=O)N(C)C3CC3)c(Nc3ccc(C)cc3F)n(C)c(=O)c2C)c1
InChIInChI=1S/C29H32FN5O4.C2H6/c1-6-24(37)31-19-8-7-9-21(15-19)35(16-36)26-18(3)28(38)34(5)27(25(26)29(39)33(4)20-11-12-20)32-23-13-10-17(2)14-22(23)30;1-2/h7-10,13-16,20,32H,6,11-12H2,1-5H3,(H,31,37);1-2H3
InChIKeyKSZHBAUDMIMQCQ-UHFFFAOYSA-N
MW563.67 g/mol
LogP5.79
Rot. Bonds9

About N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane

N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane (PubChem CID 162531505) has the molecular formula C31H38FN5O4 and a molecular weight of 563.67 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane
PubChem CID162531505
Molecular FormulaC31H38FN5O4
Molecular Weight563.67 g/mol
Exact Mass563.29
IUPAC NameN-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane
SMILESCC.CCC(=O)Nc1cccc(N(C=O)c2c(C(=O)N(C)C3CC3)c(Nc3ccc(C)cc3F)n(C)c(=O)c2C)c1
InChIInChI=1S/C29H32FN5O4.C2H6/c1-6-24(37)31-19-8-7-9-21(15-19)35(16-36)26-18(3)28(38)34(5)27(25(26)29(39)33(4)20-11-12-20)32-23-13-10-17(2)14-22(23)30;1-2/h7-10,13-16,20,32H,6,11-12H2,1-5H3,(H,31,37);1-2H3
InChIKeyKSZHBAUDMIMQCQ-UHFFFAOYSA-N
XLogP5.79
TPSA103.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.67
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane?
The IUPAC name of N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane (CID 162531505) is N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane.
What is the SMILES notation for N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane?
The canonical SMILES for N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane is CC.CCC(=O)Nc1cccc(N(C=O)c2c(C(=O)N(C)C3CC3)c(Nc3ccc(C)cc3F)n(C)c(=O)c2C)c1.
What is the InChIKey of N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane?
The InChIKey is KSZHBAUDMIMQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN5O4.C2H6/c1-6-24(37)31-19-8-7-9-21(15-19)35(16-36)26-18(3)28(38)34(5)27(25(26)29(39)33(4)20-11-12-20)32-23-13-10-17(2)14-22(23)30;1-2/h7-10,13-16,20,32H,6,11-12H2,1-5H3,(H,31,37);1-2H3.
What are the key properties of N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane?
N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane has a molecular weight of 563.67 g/mol, XLogP of 5.79, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-fluoro-4-methylanilino)-4-[N-formyl-3-(propanoylamino)anilino]-N,1,5-trimethyl-6-oxopyridine-3-carboxamide;ethane is sourced from PubChem (CID 162531505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.