N-(2-methoxyethyl)-4-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide

C18H19N3O3 — CID 72966233

IUPACN-(2-methoxyethyl)-4-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide
SMILESCOCCNC(=O)c1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1
InChIInChI=1S/C18H19N3O3/c1-11-9-16(18(23)19-7-8-24-2)20-15(11)10-13-12-5-3-4-6-14(12)21-17(13)22/h3-6,9-10,20H,7-8H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyCUHNHDFPWVDFIS-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.19
Rot. Bonds5

About N-(2-methoxyethyl)-4-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide

N-(2-methoxyethyl)-4-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 72966233) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide
PubChem CID72966233
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(2-methoxyethyl)-4-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide
SMILESCOCCNC(=O)c1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1
InChIInChI=1S/C18H19N3O3/c1-11-9-16(18(23)19-7-8-24-2)20-15(11)10-13-12-5-3-4-6-14(12)21-17(13)22/h3-6,9-10,20H,7-8H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyCUHNHDFPWVDFIS-UHFFFAOYSA-N
XLogP2.19
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide (CID 72966233) is N-(2-methoxyethyl)-4-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide is COCCNC(=O)c1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is CUHNHDFPWVDFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11-9-16(18(23)19-7-8-24-2)20-15(11)10-13-12-5-3-4-6-14(12)21-17(13)22/h3-6,9-10,20H,7-8H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of N-(2-methoxyethyl)-4-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide?
N-(2-methoxyethyl)-4-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-5-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 72966233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).