methyl 5-acetyl-2-[2-[3-methoxy-4-(pyridine-3-carbonylamino)anilino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate

C24H24N4O6 — CID 55671110

IUPACmethyl 5-acetyl-2-[2-[3-methoxy-4-(pyridine-3-carbonylamino)anilino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(CC(=O)Nc2ccc(NC(=O)c3cccnc3)c(OC)c2)[nH]c(C(C)=O)c1C
InChIInChI=1S/C24H24N4O6/c1-13-21(24(32)34-4)18(27-22(13)14(2)29)11-20(30)26-16-7-8-17(19(10-16)33-3)28-23(31)15-6-5-9-25-12-15/h5-10,12,27H,11H2,1-4H3,(H,26,30)(H,28,31)
InChIKeyVSENVOZYKBCNLZ-UHFFFAOYSA-N
MW464.48 g/mol
LogP3.15
Rot. Bonds8

About methyl 5-acetyl-2-[2-[3-methoxy-4-(pyridine-3-carbonylamino)anilino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate

methyl 5-acetyl-2-[2-[3-methoxy-4-(pyridine-3-carbonylamino)anilino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate (PubChem CID 55671110) has the molecular formula C24H24N4O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is methyl 5-acetyl-2-[2-[3-methoxy-4-(pyridine-3-carbonylamino)anilino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyl-2-[2-[3-methoxy-4-(pyridine-3-carbonylamino)anilino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
PubChem CID55671110
Molecular FormulaC24H24N4O6
Molecular Weight464.48 g/mol
Exact Mass464.17
IUPAC Namemethyl 5-acetyl-2-[2-[3-methoxy-4-(pyridine-3-carbonylamino)anilino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(CC(=O)Nc2ccc(NC(=O)c3cccnc3)c(OC)c2)[nH]c(C(C)=O)c1C
InChIInChI=1S/C24H24N4O6/c1-13-21(24(32)34-4)18(27-22(13)14(2)29)11-20(30)26-16-7-8-17(19(10-16)33-3)28-23(31)15-6-5-9-25-12-15/h5-10,12,27H,11H2,1-4H3,(H,26,30)(H,28,31)
InChIKeyVSENVOZYKBCNLZ-UHFFFAOYSA-N
XLogP3.15
TPSA139.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 5-acetyl-2-[2-[3-methoxy-4-(pyridine-3-carbonylamino)anilino]-2-oxoethyl]-4-methyl-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

N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide
CID 38661659
N-[2-methoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 38661253
N-[4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 38660436
N-[2-methoxy-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]pyridine-3-carboxamide
CID 33491810
N-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 55653506
methyl 5-acetyl-2-[2-(4-bromoanilino)-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 17476308
N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 33497824
N-[2-methoxy-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 38662274
N-[4-(4-benzamidobutanoylamino)-2-methoxyphenyl]pyridine-3-carboxamide
CID 33492420
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-[2-methoxy-4-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119845814
N-[4-[3-(4-cyanophenyl)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 33494417

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyl-2-[2-[3-methoxy-4-(pyridine-3-carbonylamino)anilino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-acetyl-2-[2-[3-methoxy-4-(pyridine-3-carbonylamino)anilino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate (CID 55671110) is methyl 5-acetyl-2-[2-[3-methoxy-4-(pyridine-3-carbonylamino)anilino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-acetyl-2-[2-[3-methoxy-4-(pyridine-3-carbonylamino)anilino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-acetyl-2-[2-[3-methoxy-4-(pyridine-3-carbonylamino)anilino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate is COC(=O)c1c(CC(=O)Nc2ccc(NC(=O)c3cccnc3)c(OC)c2)[nH]c(C(C)=O)c1C.
What is the InChIKey of methyl 5-acetyl-2-[2-[3-methoxy-4-(pyridine-3-carbonylamino)anilino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate?
The InChIKey is VSENVOZYKBCNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O6/c1-13-21(24(32)34-4)18(27-22(13)14(2)29)11-20(30)26-16-7-8-17(19(10-16)33-3)28-23(31)15-6-5-9-25-12-15/h5-10,12,27H,11H2,1-4H3,(H,26,30)(H,28,31).
What are the key properties of methyl 5-acetyl-2-[2-[3-methoxy-4-(pyridine-3-carbonylamino)anilino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate?
methyl 5-acetyl-2-[2-[3-methoxy-4-(pyridine-3-carbonylamino)anilino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate has a molecular weight of 464.48 g/mol, XLogP of 3.15, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyl-2-[2-[3-methoxy-4-(pyridine-3-carbonylamino)anilino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 55671110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).