1-[[2,5-dichloro-4-[[5-(2-ethylcyclopropanecarbonyl)-3-pyridinyl]methyl]phenyl]methyl]pyridin-2-one

C24H22Cl2N2O2 — CID 144881340

IUPAC1-[[2,5-dichloro-4-[[5-(2-ethylcyclopropanecarbonyl)-3-pyridinyl]methyl]phenyl]methyl]pyridin-2-one
SMILESCCC1CC1C(=O)c1cncc(Cc2cc(Cl)c(Cn3ccccc3=O)cc2Cl)c1
InChIInChI=1S/C24H22Cl2N2O2/c1-2-16-9-20(16)24(30)18-8-15(12-27-13-18)7-17-10-22(26)19(11-21(17)25)14-28-6-4-3-5-23(28)29/h3-6,8,10-13,16,20H,2,7,9,14H2,1H3
InChIKeyZDUCJTLNWZNEHM-UHFFFAOYSA-N
MW441.36 g/mol
LogP5.42
Rot. Bonds7

About 1-[[2,5-dichloro-4-[[5-(2-ethylcyclopropanecarbonyl)-3-pyridinyl]methyl]phenyl]methyl]pyridin-2-one

1-[[2,5-dichloro-4-[[5-(2-ethylcyclopropanecarbonyl)-3-pyridinyl]methyl]phenyl]methyl]pyridin-2-one (PubChem CID 144881340) has the molecular formula C24H22Cl2N2O2 and a molecular weight of 441.36 g/mol. Its IUPAC name is 1-[[2,5-dichloro-4-[[5-(2-ethylcyclopropanecarbonyl)-3-pyridinyl]methyl]phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[2,5-dichloro-4-[[5-(2-ethylcyclopropanecarbonyl)-3-pyridinyl]methyl]phenyl]methyl]pyridin-2-one
PubChem CID144881340
Molecular FormulaC24H22Cl2N2O2
Molecular Weight441.36 g/mol
Exact Mass440.11
IUPAC Name1-[[2,5-dichloro-4-[[5-(2-ethylcyclopropanecarbonyl)-3-pyridinyl]methyl]phenyl]methyl]pyridin-2-one
SMILESCCC1CC1C(=O)c1cncc(Cc2cc(Cl)c(Cn3ccccc3=O)cc2Cl)c1
InChIInChI=1S/C24H22Cl2N2O2/c1-2-16-9-20(16)24(30)18-8-15(12-27-13-18)7-17-10-22(26)19(11-21(17)25)14-28-6-4-3-5-23(28)29/h3-6,8,10-13,16,20H,2,7,9,14H2,1H3
InChIKeyZDUCJTLNWZNEHM-UHFFFAOYSA-N
XLogP5.42
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.36
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[2,5-dichloro-4-[[5-(2-ethylcyclopropanecarbonyl)-3-pyridinyl]methyl]phenyl]methyl]pyridin-2-one 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 1-[[2,5-dichloro-4-[[5-(2-ethylcyclopropanecarbonyl)-3-pyridinyl]methyl]phenyl]methyl]pyridin-2-one?
The IUPAC name of 1-[[2,5-dichloro-4-[[5-(2-ethylcyclopropanecarbonyl)-3-pyridinyl]methyl]phenyl]methyl]pyridin-2-one (CID 144881340) is 1-[[2,5-dichloro-4-[[5-(2-ethylcyclopropanecarbonyl)-3-pyridinyl]methyl]phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[2,5-dichloro-4-[[5-(2-ethylcyclopropanecarbonyl)-3-pyridinyl]methyl]phenyl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[2,5-dichloro-4-[[5-(2-ethylcyclopropanecarbonyl)-3-pyridinyl]methyl]phenyl]methyl]pyridin-2-one is CCC1CC1C(=O)c1cncc(Cc2cc(Cl)c(Cn3ccccc3=O)cc2Cl)c1.
What is the InChIKey of 1-[[2,5-dichloro-4-[[5-(2-ethylcyclopropanecarbonyl)-3-pyridinyl]methyl]phenyl]methyl]pyridin-2-one?
The InChIKey is ZDUCJTLNWZNEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O2/c1-2-16-9-20(16)24(30)18-8-15(12-27-13-18)7-17-10-22(26)19(11-21(17)25)14-28-6-4-3-5-23(28)29/h3-6,8,10-13,16,20H,2,7,9,14H2,1H3.
What are the key properties of 1-[[2,5-dichloro-4-[[5-(2-ethylcyclopropanecarbonyl)-3-pyridinyl]methyl]phenyl]methyl]pyridin-2-one?
1-[[2,5-dichloro-4-[[5-(2-ethylcyclopropanecarbonyl)-3-pyridinyl]methyl]phenyl]methyl]pyridin-2-one has a molecular weight of 441.36 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,5-dichloro-4-[[5-(2-ethylcyclopropanecarbonyl)-3-pyridinyl]methyl]phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 144881340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).