methyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate

C23H19N3O5 — CID 51001459

IUPACmethyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c[nH]c(-c2cc(Oc3cccc(NC(=O)c4occc4C)c3)ccn2)c1
InChIInChI=1S/C23H19N3O5/c1-14-7-9-30-21(14)22(27)26-16-4-3-5-17(11-16)31-18-6-8-24-20(12-18)19-10-15(13-25-19)23(28)29-2/h3-13,25H,1-2H3,(H,26,27)
InChIKeyUONKVPSAMIUNOO-UHFFFAOYSA-N
MW417.42 g/mol
LogP4.81
Rot. Bonds6

About methyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate

methyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate (PubChem CID 51001459) has the molecular formula C23H19N3O5 and a molecular weight of 417.42 g/mol. Its IUPAC name is methyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate
PubChem CID51001459
Molecular FormulaC23H19N3O5
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC Namemethyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c[nH]c(-c2cc(Oc3cccc(NC(=O)c4occc4C)c3)ccn2)c1
InChIInChI=1S/C23H19N3O5/c1-14-7-9-30-21(14)22(27)26-16-4-3-5-17(11-16)31-18-6-8-24-20(12-18)19-10-15(13-25-19)23(28)29-2/h3-13,25H,1-2H3,(H,26,27)
InChIKeyUONKVPSAMIUNOO-UHFFFAOYSA-N
XLogP4.81
TPSA106.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-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

Related Compounds

SARS-CoV-2 3CLP and CoV inhibitor 15i
CID 156023317
SARS-CoV-2 3CLP and CoV inhibitor 15j
CID 156023318
SARS-CoV-2 3CLP and CoV inhibitor 15k
CID 156023319
1-(4-benzoylpiperazin-1-yl)-2-[7-(3-furyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280191
Ethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate
CID 709114
Proximicin C
CID 24829332
N-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1H-pyrrole-2-carboxamide
CID 1489193
1-(4-benzoylpiperazin-1-yl)-2-(4-ethoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506248
1-(4-benzoylpiperazin-1-yl)-2-[6-(furan-2-yl)-4-methoxy-1H-indol-3-yl]ethane-1,2-dione
CID 127047390
2-[3-[2-furanyl(oxo)methyl]-1-indolyl]-N-(2-methoxyphenyl)acetamide
CID 2975165
2-[3-(furan-2-ylcarbonyl)-1H-indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 3157244
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(furan-2-ylmethyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 3180466

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate (CID 51001459) is methyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate is COC(=O)c1c[nH]c(-c2cc(Oc3cccc(NC(=O)c4occc4C)c3)ccn2)c1.
What is the InChIKey of methyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate?
The InChIKey is UONKVPSAMIUNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5/c1-14-7-9-30-21(14)22(27)26-16-4-3-5-17(11-16)31-18-6-8-24-20(12-18)19-10-15(13-25-19)23(28)29-2/h3-13,25H,1-2H3,(H,26,27).
What are the key properties of methyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate?
methyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate has a molecular weight of 417.42 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 51001459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).