methyl 5-methyl-4-[4-[(3-methylpyridine-4-carbonyl)amino]phenyl]furan-2-carboxylate

C20H18N2O4 — CID 59014064

IUPACmethyl 5-methyl-4-[4-[(3-methylpyridine-4-carbonyl)amino]phenyl]furan-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(NC(=O)c3ccncc3C)cc2)c(C)o1
InChIInChI=1S/C20H18N2O4/c1-12-11-21-9-8-16(12)19(23)22-15-6-4-14(5-7-15)17-10-18(20(24)25-3)26-13(17)2/h4-11H,1-3H3,(H,22,23)
InChIKeyRFBCHWIHMOIXKH-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.00
Rot. Bonds4

About methyl 5-methyl-4-[4-[(3-methylpyridine-4-carbonyl)amino]phenyl]furan-2-carboxylate

methyl 5-methyl-4-[4-[(3-methylpyridine-4-carbonyl)amino]phenyl]furan-2-carboxylate (PubChem CID 59014064) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is methyl 5-methyl-4-[4-[(3-methylpyridine-4-carbonyl)amino]phenyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-4-[4-[(3-methylpyridine-4-carbonyl)amino]phenyl]furan-2-carboxylate
PubChem CID59014064
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Namemethyl 5-methyl-4-[4-[(3-methylpyridine-4-carbonyl)amino]phenyl]furan-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(NC(=O)c3ccncc3C)cc2)c(C)o1
InChIInChI=1S/C20H18N2O4/c1-12-11-21-9-8-16(12)19(23)22-15-6-4-14(5-7-15)17-10-18(20(24)25-3)26-13(17)2/h4-11H,1-3H3,(H,22,23)
InChIKeyRFBCHWIHMOIXKH-UHFFFAOYSA-N
XLogP4.00
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-4-[4-[(3-methylpyridine-4-carbonyl)amino]phenyl]furan-2-carboxylate?
The IUPAC name of methyl 5-methyl-4-[4-[(3-methylpyridine-4-carbonyl)amino]phenyl]furan-2-carboxylate (CID 59014064) is methyl 5-methyl-4-[4-[(3-methylpyridine-4-carbonyl)amino]phenyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-4-[4-[(3-methylpyridine-4-carbonyl)amino]phenyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-methyl-4-[4-[(3-methylpyridine-4-carbonyl)amino]phenyl]furan-2-carboxylate is COC(=O)c1cc(-c2ccc(NC(=O)c3ccncc3C)cc2)c(C)o1.
What is the InChIKey of methyl 5-methyl-4-[4-[(3-methylpyridine-4-carbonyl)amino]phenyl]furan-2-carboxylate?
The InChIKey is RFBCHWIHMOIXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-12-11-21-9-8-16(12)19(23)22-15-6-4-14(5-7-15)17-10-18(20(24)25-3)26-13(17)2/h4-11H,1-3H3,(H,22,23).
What are the key properties of methyl 5-methyl-4-[4-[(3-methylpyridine-4-carbonyl)amino]phenyl]furan-2-carboxylate?
methyl 5-methyl-4-[4-[(3-methylpyridine-4-carbonyl)amino]phenyl]furan-2-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-4-[4-[(3-methylpyridine-4-carbonyl)amino]phenyl]furan-2-carboxylate is sourced from PubChem (CID 59014064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).