N-[4-[4-[2-(diethylamino)-2-oxo-1-pyridin-2-ylethyl]-2-methylpiperazin-1-yl]-3-fluorophenyl]-2-ethylbutanamide

C28H40FN5O2 — CID 69304459

IUPACN-[4-[4-[2-(diethylamino)-2-oxo-1-pyridin-2-ylethyl]-2-methylpiperazin-1-yl]-3-fluorophenyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccccn3)CC2C)c(F)c1
InChIInChI=1S/C28H40FN5O2/c1-6-21(7-2)27(35)31-22-13-14-25(23(29)18-22)34-17-16-33(19-20(34)5)26(24-12-10-11-15-30-24)28(36)32(8-3)9-4/h10-15,18,20-21,26H,6-9,16-17,19H2,1-5H3,(H,31,35)
InChIKeyAECFVUGBJZNRLY-UHFFFAOYSA-N
MW497.66 g/mol
LogP4.72
Rot. Bonds10

About N-[4-[4-[2-(diethylamino)-2-oxo-1-pyridin-2-ylethyl]-2-methylpiperazin-1-yl]-3-fluorophenyl]-2-ethylbutanamide

N-[4-[4-[2-(diethylamino)-2-oxo-1-pyridin-2-ylethyl]-2-methylpiperazin-1-yl]-3-fluorophenyl]-2-ethylbutanamide (PubChem CID 69304459) has the molecular formula C28H40FN5O2 and a molecular weight of 497.66 g/mol. Its IUPAC name is N-[4-[4-[2-(diethylamino)-2-oxo-1-pyridin-2-ylethyl]-2-methylpiperazin-1-yl]-3-fluorophenyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[4-[4-[2-(diethylamino)-2-oxo-1-pyridin-2-ylethyl]-2-methylpiperazin-1-yl]-3-fluorophenyl]-2-ethylbutanamide
PubChem CID69304459
Molecular FormulaC28H40FN5O2
Molecular Weight497.66 g/mol
Exact Mass497.32
IUPAC NameN-[4-[4-[2-(diethylamino)-2-oxo-1-pyridin-2-ylethyl]-2-methylpiperazin-1-yl]-3-fluorophenyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccccn3)CC2C)c(F)c1
InChIInChI=1S/C28H40FN5O2/c1-6-21(7-2)27(35)31-22-13-14-25(23(29)18-22)34-17-16-33(19-20(34)5)26(24-12-10-11-15-30-24)28(36)32(8-3)9-4/h10-15,18,20-21,26H,6-9,16-17,19H2,1-5H3,(H,31,35)
InChIKeyAECFVUGBJZNRLY-UHFFFAOYSA-N
XLogP4.72
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.66
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-[2-(diethylamino)-2-oxo-1-pyridin-2-ylethyl]-2-methylpiperazin-1-yl]-3-fluorophenyl]-2-ethylbutanamide 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-[4-[4-[2-(diethylamino)-2-oxo-1-pyridin-2-ylethyl]-2-methylpiperazin-1-yl]-3-fluorophenyl]-2-ethylbutanamide?
The IUPAC name of N-[4-[4-[2-(diethylamino)-2-oxo-1-pyridin-2-ylethyl]-2-methylpiperazin-1-yl]-3-fluorophenyl]-2-ethylbutanamide (CID 69304459) is N-[4-[4-[2-(diethylamino)-2-oxo-1-pyridin-2-ylethyl]-2-methylpiperazin-1-yl]-3-fluorophenyl]-2-ethylbutanamide.
What is the SMILES notation for N-[4-[4-[2-(diethylamino)-2-oxo-1-pyridin-2-ylethyl]-2-methylpiperazin-1-yl]-3-fluorophenyl]-2-ethylbutanamide?
The canonical SMILES for N-[4-[4-[2-(diethylamino)-2-oxo-1-pyridin-2-ylethyl]-2-methylpiperazin-1-yl]-3-fluorophenyl]-2-ethylbutanamide is CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)N(CC)CC)c3ccccn3)CC2C)c(F)c1.
What is the InChIKey of N-[4-[4-[2-(diethylamino)-2-oxo-1-pyridin-2-ylethyl]-2-methylpiperazin-1-yl]-3-fluorophenyl]-2-ethylbutanamide?
The InChIKey is AECFVUGBJZNRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40FN5O2/c1-6-21(7-2)27(35)31-22-13-14-25(23(29)18-22)34-17-16-33(19-20(34)5)26(24-12-10-11-15-30-24)28(36)32(8-3)9-4/h10-15,18,20-21,26H,6-9,16-17,19H2,1-5H3,(H,31,35).
What are the key properties of N-[4-[4-[2-(diethylamino)-2-oxo-1-pyridin-2-ylethyl]-2-methylpiperazin-1-yl]-3-fluorophenyl]-2-ethylbutanamide?
N-[4-[4-[2-(diethylamino)-2-oxo-1-pyridin-2-ylethyl]-2-methylpiperazin-1-yl]-3-fluorophenyl]-2-ethylbutanamide has a molecular weight of 497.66 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(diethylamino)-2-oxo-1-pyridin-2-ylethyl]-2-methylpiperazin-1-yl]-3-fluorophenyl]-2-ethylbutanamide is sourced from PubChem (CID 69304459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).