1-methyl-N-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide

C16H19N3O2 — CID 2441086

IUPAC1-methyl-N-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H19N3O2/c1-18-8-2-3-15(18)16(20)17-13-4-6-14(7-5-13)19-9-11-21-12-10-19/h2-8H,9-12H2,1H3,(H,17,20)
InChIKeyZLQAKXFWPFWCRH-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.11
Rot. Bonds3

About 1-methyl-N-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide

1-methyl-N-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide (PubChem CID 2441086) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-methyl-N-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide
PubChem CID2441086
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-methyl-N-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H19N3O2/c1-18-8-2-3-15(18)16(20)17-13-4-6-14(7-5-13)19-9-11-21-12-10-19/h2-8H,9-12H2,1H3,(H,17,20)
InChIKeyZLQAKXFWPFWCRH-UHFFFAOYSA-N
XLogP2.11
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide (CID 2441086) is 1-methyl-N-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide is Cn1cccc1C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-methyl-N-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide?
The InChIKey is ZLQAKXFWPFWCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-18-8-2-3-15(18)16(20)17-13-4-6-14(7-5-13)19-9-11-21-12-10-19/h2-8H,9-12H2,1H3,(H,17,20).
What are the key properties of 1-methyl-N-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide?
1-methyl-N-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 2441086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).