N-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide

C23H28N4O2 — CID 146036435

IUPACN-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide
SMILESCc1cc(C)c(/C=C2\C(=O)Nc3ccc(NC(=O)CCN4CCCCC4)cc32)[nH]1
InChIInChI=1S/C23H28N4O2/c1-15-12-16(2)24-21(15)14-19-18-13-17(6-7-20(18)26-23(19)29)25-22(28)8-11-27-9-4-3-5-10-27/h6-7,12-14,24H,3-5,8-11H2,1-2H3,(H,25,28)(H,26,29)/b19-14-
InChIKeyNCLZOCVGQKRIAV-RGEXLXHISA-N
MW392.50 g/mol
LogP3.94
Rot. Bonds5

About N-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide

N-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide (PubChem CID 146036435) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide
PubChem CID146036435
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide
SMILESCc1cc(C)c(/C=C2\C(=O)Nc3ccc(NC(=O)CCN4CCCCC4)cc32)[nH]1
InChIInChI=1S/C23H28N4O2/c1-15-12-16(2)24-21(15)14-19-18-13-17(6-7-20(18)26-23(19)29)25-22(28)8-11-27-9-4-3-5-10-27/h6-7,12-14,24H,3-5,8-11H2,1-2H3,(H,25,28)(H,26,29)/b19-14-
InChIKeyNCLZOCVGQKRIAV-RGEXLXHISA-N
XLogP3.94
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide (CID 146036435) is N-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide is Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(NC(=O)CCN4CCCCC4)cc32)[nH]1.
What is the InChIKey of N-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide?
The InChIKey is NCLZOCVGQKRIAV-RGEXLXHISA-N. The full InChI is InChI=1S/C23H28N4O2/c1-15-12-16(2)24-21(15)14-19-18-13-17(6-7-20(18)26-23(19)29)25-22(28)8-11-27-9-4-3-5-10-27/h6-7,12-14,24H,3-5,8-11H2,1-2H3,(H,25,28)(H,26,29)/b19-14-.
What are the key properties of N-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide?
N-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide has a molecular weight of 392.50 g/mol, XLogP of 3.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 146036435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).