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

C20H22N4O2 — CID 122184168

IUPACN-[(3Z)-5-(diethylamino)-2-oxo-3-(pyridin-2-ylmethylidene)-1H-indol-6-yl]acetamide
SMILESCCN(CC)c1cc2c(cc1NC(C)=O)NC(=O)/C2=C\c1ccccn1
InChIInChI=1S/C20H22N4O2/c1-4-24(5-2)19-11-15-16(10-14-8-6-7-9-21-14)20(26)23-17(15)12-18(19)22-13(3)25/h6-12H,4-5H2,1-3H3,(H,22,25)(H,23,26)/b16-10-
InChIKeyLNOAIICGUFRMNV-YBEGLDIGSA-N
MW350.42 g/mol
LogP3.38
Rot. Bonds5

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

N-[(3Z)-5-(diethylamino)-2-oxo-3-(pyridin-2-ylmethylidene)-1H-indol-6-yl]acetamide (PubChem CID 122184168) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(3Z)-5-(diethylamino)-2-oxo-3-(pyridin-2-ylmethylidene)-1H-indol-6-yl]acetamide.

Molecular Properties

Compound NameN-[(3Z)-5-(diethylamino)-2-oxo-3-(pyridin-2-ylmethylidene)-1H-indol-6-yl]acetamide
PubChem CID122184168
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[(3Z)-5-(diethylamino)-2-oxo-3-(pyridin-2-ylmethylidene)-1H-indol-6-yl]acetamide
SMILESCCN(CC)c1cc2c(cc1NC(C)=O)NC(=O)/C2=C\c1ccccn1
InChIInChI=1S/C20H22N4O2/c1-4-24(5-2)19-11-15-16(10-14-8-6-7-9-21-14)20(26)23-17(15)12-18(19)22-13(3)25/h6-12H,4-5H2,1-3H3,(H,22,25)(H,23,26)/b16-10-
InChIKeyLNOAIICGUFRMNV-YBEGLDIGSA-N
XLogP3.38
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
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-[(3Z)-5-(diethylamino)-2-oxo-3-(pyridin-2-ylmethylidene)-1H-indol-6-yl]acetamide?
The IUPAC name of N-[(3Z)-5-(diethylamino)-2-oxo-3-(pyridin-2-ylmethylidene)-1H-indol-6-yl]acetamide (CID 122184168) is N-[(3Z)-5-(diethylamino)-2-oxo-3-(pyridin-2-ylmethylidene)-1H-indol-6-yl]acetamide.
What is the SMILES notation for N-[(3Z)-5-(diethylamino)-2-oxo-3-(pyridin-2-ylmethylidene)-1H-indol-6-yl]acetamide?
The canonical SMILES for N-[(3Z)-5-(diethylamino)-2-oxo-3-(pyridin-2-ylmethylidene)-1H-indol-6-yl]acetamide is CCN(CC)c1cc2c(cc1NC(C)=O)NC(=O)/C2=C\c1ccccn1.
What is the InChIKey of N-[(3Z)-5-(diethylamino)-2-oxo-3-(pyridin-2-ylmethylidene)-1H-indol-6-yl]acetamide?
The InChIKey is LNOAIICGUFRMNV-YBEGLDIGSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-4-24(5-2)19-11-15-16(10-14-8-6-7-9-21-14)20(26)23-17(15)12-18(19)22-13(3)25/h6-12H,4-5H2,1-3H3,(H,22,25)(H,23,26)/b16-10-.
What are the key properties of N-[(3Z)-5-(diethylamino)-2-oxo-3-(pyridin-2-ylmethylidene)-1H-indol-6-yl]acetamide?
N-[(3Z)-5-(diethylamino)-2-oxo-3-(pyridin-2-ylmethylidene)-1H-indol-6-yl]acetamide has a molecular weight of 350.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-5-(diethylamino)-2-oxo-3-(pyridin-2-ylmethylidene)-1H-indol-6-yl]acetamide is sourced from PubChem (CID 122184168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).