N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(6-methoxy-2-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

C28H33N5O3 — CID 118696327

IUPACN-[2-(diethylamino)ethyl]-5-[(Z)-[5-(6-methoxy-2-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cccc(OC)n4)cc32)c1C
InChIInChI=1S/C28H33N5O3/c1-6-33(7-2)14-13-29-28(35)26-17(3)24(30-18(26)4)16-21-20-15-19(11-12-23(20)32-27(21)34)22-9-8-10-25(31-22)36-5/h8-12,15-16,30H,6-7,13-14H2,1-5H3,(H,29,35)(H,32,34)/b21-16-
InChIKeyWPRFVXUEXSRDLO-PGMHBOJBSA-N
MW487.60 g/mol
LogP4.27
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(6-methoxy-2-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(6-methoxy-2-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 118696327) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(6-methoxy-2-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-[(Z)-[5-(6-methoxy-2-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID118696327
Molecular FormulaC28H33N5O3
Molecular Weight487.60 g/mol
Exact Mass487.26
IUPAC NameN-[2-(diethylamino)ethyl]-5-[(Z)-[5-(6-methoxy-2-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cccc(OC)n4)cc32)c1C
InChIInChI=1S/C28H33N5O3/c1-6-33(7-2)14-13-29-28(35)26-17(3)24(30-18(26)4)16-21-20-15-19(11-12-23(20)32-27(21)34)22-9-8-10-25(31-22)36-5/h8-12,15-16,30H,6-7,13-14H2,1-5H3,(H,29,35)(H,32,34)/b21-16-
InChIKeyWPRFVXUEXSRDLO-PGMHBOJBSA-N
XLogP4.27
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[2-(diethylamino)ethyl]-5-[(Z)-[5-(6-methoxy-2-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(6-methoxy-2-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 118696327) is N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(6-methoxy-2-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(6-methoxy-2-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(6-methoxy-2-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cccc(OC)n4)cc32)c1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(6-methoxy-2-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is WPRFVXUEXSRDLO-PGMHBOJBSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-6-33(7-2)14-13-29-28(35)26-17(3)24(30-18(26)4)16-21-20-15-19(11-12-23(20)32-27(21)34)22-9-8-10-25(31-22)36-5/h8-12,15-16,30H,6-7,13-14H2,1-5H3,(H,29,35)(H,32,34)/b21-16-.
What are the key properties of N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(6-methoxy-2-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(6-methoxy-2-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 487.60 g/mol, XLogP of 4.27, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(6-methoxy-2-pyridinyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 118696327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).