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

C24H32N4O3 — CID 162676482

IUPACN-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-hydroxyethyl)-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(CCO)cc32)c1C
InChIInChI=1S/C24H32N4O3/c1-5-28(6-2)11-10-25-24(31)22-15(3)21(26-16(22)4)14-19-18-13-17(9-12-29)7-8-20(18)27-23(19)30/h7-8,13-14,26,29H,5-6,9-12H2,1-4H3,(H,25,31)(H,27,30)/b19-14-
InChIKeyHTVNZZYDHQNFBS-RGEXLXHISA-N
MW424.55 g/mol
LogP2.73
Rot. Bonds9

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

N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 162676482) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID162676482
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-hydroxyethyl)-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(CCO)cc32)c1C
InChIInChI=1S/C24H32N4O3/c1-5-28(6-2)11-10-25-24(31)22-15(3)21(26-16(22)4)14-19-18-13-17(9-12-29)7-8-20(18)27-23(19)30/h7-8,13-14,26,29H,5-6,9-12H2,1-4H3,(H,25,31)(H,27,30)/b19-14-
InChIKeyHTVNZZYDHQNFBS-RGEXLXHISA-N
XLogP2.73
TPSA97.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.73
H-Bond Donors ≤ 54
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 N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-hydroxyethyl)-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-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 162676482) is N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-hydroxyethyl)-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-(2-hydroxyethyl)-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-(2-hydroxyethyl)-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(CCO)cc32)c1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is HTVNZZYDHQNFBS-RGEXLXHISA-N. The full InChI is InChI=1S/C24H32N4O3/c1-5-28(6-2)11-10-25-24(31)22-15(3)21(26-16(22)4)14-19-18-13-17(9-12-29)7-8-20(18)27-23(19)30/h7-8,13-14,26,29H,5-6,9-12H2,1-4H3,(H,25,31)(H,27,30)/b19-14-.
What are the key properties of N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 2.73, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(2-hydroxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 162676482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).