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

C25H22N4O6 — CID 51001380

IUPACmethyl 2-[[5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1c[nH]c(-c2cc(Oc3cccc(NC(=O)c4occc4C)c3)ccn2)c1
InChIInChI=1S/C25H22N4O6/c1-15-7-9-34-23(15)25(32)29-17-4-3-5-18(11-17)35-19-6-8-26-21(12-19)20-10-16(13-27-20)24(31)28-14-22(30)33-2/h3-13,27H,14H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyVYVRNJVJSGNVQN-UHFFFAOYSA-N
MW474.47 g/mol
LogP3.93
Rot. Bonds8

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

methyl 2-[[5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]acetate (PubChem CID 51001380) has the molecular formula C25H22N4O6 and a molecular weight of 474.47 g/mol. Its IUPAC name is methyl 2-[[5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]acetate
PubChem CID51001380
Molecular FormulaC25H22N4O6
Molecular Weight474.47 g/mol
Exact Mass474.15
IUPAC Namemethyl 2-[[5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1c[nH]c(-c2cc(Oc3cccc(NC(=O)c4occc4C)c3)ccn2)c1
InChIInChI=1S/C25H22N4O6/c1-15-7-9-34-23(15)25(32)29-17-4-3-5-18(11-17)35-19-6-8-26-21(12-19)20-10-16(13-27-20)24(31)28-14-22(30)33-2/h3-13,27H,14H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyVYVRNJVJSGNVQN-UHFFFAOYSA-N
XLogP3.93
TPSA135.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.47
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-N-(methyl-methylidene-oxo-λ6-sulfanyl)-1H-pyrrole-3-carboxamide
CID 91808717
[methyl-[5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino] acetate
CID 87246473
N-[3-[[2-[4-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyrrol-2-yl]-4-pyridinyl]oxy]phenyl]-3-methylfuran-2-carboxamide
CID 75599352
tert-butyl 4-[[5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrol-3-yl]methylamino]butanoate
CID 123379948
ethyl 5-[4-[3-[(3-methylthiophene-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate
CID 67042534
2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid
CID 61058593
methyl 2-[[3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoyl]amino]acetate
CID 55750582
methyl 3-[[5-[4-[3-fluoro-4-[(3-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]propanoate
CID 71293580
N-hydroxy-5-[4-[4-[(3-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide
CID 58167821
N-(3,3-diethoxypropyl)-5-[4-[4-[(3-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxamide
CID 71542643
methyl 3-[methyl-[[5-[4-[4-[(3-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]-oxo-λ6-sulfanylidene]propanoate
CID 91663797
5-[4-[4-[[3-(aminomethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid
CID 174657001

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]acetate (CID 51001380) is methyl 2-[[5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]acetate is COC(=O)CNC(=O)c1c[nH]c(-c2cc(Oc3cccc(NC(=O)c4occc4C)c3)ccn2)c1.
What is the InChIKey of methyl 2-[[5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]acetate?
The InChIKey is VYVRNJVJSGNVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O6/c1-15-7-9-34-23(15)25(32)29-17-4-3-5-18(11-17)35-19-6-8-26-21(12-19)20-10-16(13-27-20)24(31)28-14-22(30)33-2/h3-13,27H,14H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of methyl 2-[[5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]acetate?
methyl 2-[[5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]acetate has a molecular weight of 474.47 g/mol, XLogP of 3.93, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carbonyl]amino]acetate is sourced from PubChem (CID 51001380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).