methyl 4-[[5-(5-chloro-2-fluorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate

C20H17ClFN3O3 — CID 146296444

IUPACmethyl 4-[[5-(5-chloro-2-fluorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate
SMILESCCc1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)OC
InChIInChI=1S/C20H17ClFN3O3/c1-3-16-18(24-17-6-7-23-10-14(17)20(27)28-2)9-13(19(26)25-16)12-8-11(21)4-5-15(12)22/h4-10H,3H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyAPBZPLDBPJOSQX-UHFFFAOYSA-N
MW401.83 g/mol
LogP4.32
Rot. Bonds5

About methyl 4-[[5-(5-chloro-2-fluorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate

methyl 4-[[5-(5-chloro-2-fluorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate (PubChem CID 146296444) has the molecular formula C20H17ClFN3O3 and a molecular weight of 401.83 g/mol. Its IUPAC name is methyl 4-[[5-(5-chloro-2-fluorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[5-(5-chloro-2-fluorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate
PubChem CID146296444
Molecular FormulaC20H17ClFN3O3
Molecular Weight401.83 g/mol
Exact Mass401.09
IUPAC Namemethyl 4-[[5-(5-chloro-2-fluorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate
SMILESCCc1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)OC
InChIInChI=1S/C20H17ClFN3O3/c1-3-16-18(24-17-6-7-23-10-14(17)20(27)28-2)9-13(19(26)25-16)12-8-11(21)4-5-15(12)22/h4-10H,3H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyAPBZPLDBPJOSQX-UHFFFAOYSA-N
XLogP4.32
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.83
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[5-(5-chloro-2-fluorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate 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 methyl 4-[[5-(5-chloro-2-fluorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 4-[[5-(5-chloro-2-fluorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate (CID 146296444) is methyl 4-[[5-(5-chloro-2-fluorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-[[5-(5-chloro-2-fluorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-[[5-(5-chloro-2-fluorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate is CCc1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)OC.
What is the InChIKey of methyl 4-[[5-(5-chloro-2-fluorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate?
The InChIKey is APBZPLDBPJOSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O3/c1-3-16-18(24-17-6-7-23-10-14(17)20(27)28-2)9-13(19(26)25-16)12-8-11(21)4-5-15(12)22/h4-10H,3H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of methyl 4-[[5-(5-chloro-2-fluorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate?
methyl 4-[[5-(5-chloro-2-fluorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate has a molecular weight of 401.83 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(5-chloro-2-fluorophenyl)-2-ethyl-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 146296444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).