N-[(3Z)-5-(diethylamino)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]acetamide

C19H22N4O2 — CID 122184169

IUPACN-[(3Z)-5-(diethylamino)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]acetamide
SMILESCCN(CC)c1cc2c(cc1NC(C)=O)NC(=O)/C2=C\c1ccc[nH]1
InChIInChI=1S/C19H22N4O2/c1-4-23(5-2)18-10-14-15(9-13-7-6-8-20-13)19(25)22-16(14)11-17(18)21-12(3)24/h6-11,20H,4-5H2,1-3H3,(H,21,24)(H,22,25)/b15-9-
InChIKeyWTTDZPGEQWCOMZ-DHDCSXOGSA-N
MW338.41 g/mol
LogP3.31
Rot. Bonds5

About N-[(3Z)-5-(diethylamino)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]acetamide

N-[(3Z)-5-(diethylamino)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]acetamide (PubChem CID 122184169) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(3Z)-5-(diethylamino)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]acetamide.

Molecular Properties

Compound NameN-[(3Z)-5-(diethylamino)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]acetamide
PubChem CID122184169
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[(3Z)-5-(diethylamino)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]acetamide
SMILESCCN(CC)c1cc2c(cc1NC(C)=O)NC(=O)/C2=C\c1ccc[nH]1
InChIInChI=1S/C19H22N4O2/c1-4-23(5-2)18-10-14-15(9-13-7-6-8-20-13)19(25)22-16(14)11-17(18)21-12(3)24/h6-11,20H,4-5H2,1-3H3,(H,21,24)(H,22,25)/b15-9-
InChIKeyWTTDZPGEQWCOMZ-DHDCSXOGSA-N
XLogP3.31
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.31
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)-5-(diethylamino)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]acetamide?
The IUPAC name of N-[(3Z)-5-(diethylamino)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]acetamide (CID 122184169) is N-[(3Z)-5-(diethylamino)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]acetamide.
What is the SMILES notation for N-[(3Z)-5-(diethylamino)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]acetamide?
The canonical SMILES for N-[(3Z)-5-(diethylamino)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]acetamide is CCN(CC)c1cc2c(cc1NC(C)=O)NC(=O)/C2=C\c1ccc[nH]1.
What is the InChIKey of N-[(3Z)-5-(diethylamino)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]acetamide?
The InChIKey is WTTDZPGEQWCOMZ-DHDCSXOGSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-4-23(5-2)18-10-14-15(9-13-7-6-8-20-13)19(25)22-16(14)11-17(18)21-12(3)24/h6-11,20H,4-5H2,1-3H3,(H,21,24)(H,22,25)/b15-9-.
What are the key properties of N-[(3Z)-5-(diethylamino)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]acetamide?
N-[(3Z)-5-(diethylamino)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-5-(diethylamino)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]acetamide is sourced from PubChem (CID 122184169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).