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

C18H13ClFN3O3 — CID 146296346

IUPACmethyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1Nc1c[nH]c(=O)c(-c2cc(Cl)ccc2F)c1
InChIInChI=1S/C18H13ClFN3O3/c1-26-18(25)14-9-21-5-4-16(14)23-11-7-13(17(24)22-8-11)12-6-10(19)2-3-15(12)20/h2-9H,1H3,(H,21,23)(H,22,24)
InChIKeyPBLHIIMLVCLHRP-UHFFFAOYSA-N
MW373.77 g/mol
LogP3.76
Rot. Bonds4

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

methyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate (PubChem CID 146296346) has the molecular formula C18H13ClFN3O3 and a molecular weight of 373.77 g/mol. Its IUPAC name is methyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate
PubChem CID146296346
Molecular FormulaC18H13ClFN3O3
Molecular Weight373.77 g/mol
Exact Mass373.06
IUPAC Namemethyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1Nc1c[nH]c(=O)c(-c2cc(Cl)ccc2F)c1
InChIInChI=1S/C18H13ClFN3O3/c1-26-18(25)14-9-21-5-4-16(14)23-11-7-13(17(24)22-8-11)12-6-10(19)2-3-15(12)20/h2-9H,1H3,(H,21,23)(H,22,24)
InChIKeyPBLHIIMLVCLHRP-UHFFFAOYSA-N
XLogP3.76
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.77
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 4-[[5-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate
CID 146296322
methyl 4-[[5-bromo-2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]pyridine-3-carboxylate
CID 118211432
methyl 4-[[2-(5-chloro-2-fluorophenyl)-5-propan-2-yl-4-pyridinyl]amino]pyridine-3-carboxylate
CID 118211355
methyl 4-[[2-(5-chloro-2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylate
CID 58866023
methyl 4-[[2-(5-chloro-2-fluorophenyl)-6,6-dimethyl-5,7-dihydrocyclopenta[d]pyrimidin-4-yl]amino]pyridine-3-carboxylate
CID 58866042
methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-3-carboxylate
CID 53372324
methyl 4-anilinopyridine-3-carboxylate
CID 119016910
5-[(3-acetyl-4-pyridinyl)amino]-3-(5-chloro-2-fluorophenyl)-6-(oxetan-3-yl)-1H-pyridin-2-one
CID 153392314
methyl 4-(4-chloro-2-fluorophenyl)pyridine-3-carboxylate;methyl 4-chloropyridine-3-carboxylate
CID 118278250
4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-2-propan-2-yl-1H-pyridin-3-yl]amino]-N-(1,3-dihydroxypropan-2-yl)pyridine-3-carboxamide
CID 146299048
4-(5-chloro-2-methoxyanilino)pyridine-3-carboxylic acid
CID 81232706
methyl 4-fluoropyridine-3-carboxylate
CID 46311150

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate (CID 146296346) is methyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate is COC(=O)c1cnccc1Nc1c[nH]c(=O)c(-c2cc(Cl)ccc2F)c1.
What is the InChIKey of methyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate?
The InChIKey is PBLHIIMLVCLHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O3/c1-26-18(25)14-9-21-5-4-16(14)23-11-7-13(17(24)22-8-11)12-6-10(19)2-3-15(12)20/h2-9H,1H3,(H,21,23)(H,22,24).
What are the key properties of methyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate?
methyl 4-[[5-(5-chloro-2-fluorophenyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate has a molecular weight of 373.77 g/mol, XLogP of 3.76, 4 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)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 146296346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).