5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-piperidin-1-ylethyl)-1H-pyrrole-3-carboxamide

C22H26N6O3 — CID 11373564

IUPAC5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-piperidin-1-ylethyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)Nc1ccc2c(c1)/C(=C/c1cc(C(=O)NCCN3CCCCC3)c[nH]1)C(=O)N2
InChIInChI=1S/C22H26N6O3/c23-22(31)26-15-4-5-19-17(11-15)18(21(30)27-19)12-16-10-14(13-25-16)20(29)24-6-9-28-7-2-1-3-8-28/h4-5,10-13,25H,1-3,6-9H2,(H,24,29)(H,27,30)(H3,23,26,31)/b18-12-
InChIKeyRJJPYOHCKJYJPH-PDGQHHTCSA-N
MW422.49 g/mol
LogP2.21
Rot. Bonds6

About 5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-piperidin-1-ylethyl)-1H-pyrrole-3-carboxamide

5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-piperidin-1-ylethyl)-1H-pyrrole-3-carboxamide (PubChem CID 11373564) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-piperidin-1-ylethyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-piperidin-1-ylethyl)-1H-pyrrole-3-carboxamide
PubChem CID11373564
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-piperidin-1-ylethyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)Nc1ccc2c(c1)/C(=C/c1cc(C(=O)NCCN3CCCCC3)c[nH]1)C(=O)N2
InChIInChI=1S/C22H26N6O3/c23-22(31)26-15-4-5-19-17(11-15)18(21(30)27-19)12-16-10-14(13-25-16)20(29)24-6-9-28-7-2-1-3-8-28/h4-5,10-13,25H,1-3,6-9H2,(H,24,29)(H,27,30)(H3,23,26,31)/b18-12-
InChIKeyRJJPYOHCKJYJPH-PDGQHHTCSA-N
XLogP2.21
TPSA132.35 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-piperidin-1-ylethyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-piperidin-1-ylethyl)-1H-pyrrole-3-carboxamide (CID 11373564) is 5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-piperidin-1-ylethyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-piperidin-1-ylethyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-piperidin-1-ylethyl)-1H-pyrrole-3-carboxamide is NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(C(=O)NCCN3CCCCC3)c[nH]1)C(=O)N2.
What is the InChIKey of 5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-piperidin-1-ylethyl)-1H-pyrrole-3-carboxamide?
The InChIKey is RJJPYOHCKJYJPH-PDGQHHTCSA-N. The full InChI is InChI=1S/C22H26N6O3/c23-22(31)26-15-4-5-19-17(11-15)18(21(30)27-19)12-16-10-14(13-25-16)20(29)24-6-9-28-7-2-1-3-8-28/h4-5,10-13,25H,1-3,6-9H2,(H,24,29)(H,27,30)(H3,23,26,31)/b18-12-.
What are the key properties of 5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-piperidin-1-ylethyl)-1H-pyrrole-3-carboxamide?
5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-piperidin-1-ylethyl)-1H-pyrrole-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 2.21, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-[5-(carbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-piperidin-1-ylethyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 11373564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).