2-(4-aminophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide

C23H21N5O3 — CID 89054047

IUPAC2-(4-aminophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(N)cc2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C23H21N5O3/c24-15-4-1-13(2-5-15)18-12-17(22(25)29)21-20(26-18)16-6-3-14(11-19(16)27-21)23(30)28-7-9-31-10-8-28/h1-6,11-12,27H,7-10,24H2,(H2,25,29)
InChIKeyZEQTWAMSJMJBET-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.54
Rot. Bonds3

About 2-(4-aminophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide

2-(4-aminophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 89054047) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-(4-aminophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID89054047
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name2-(4-aminophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(N)cc2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C23H21N5O3/c24-15-4-1-13(2-5-15)18-12-17(22(25)29)21-20(26-18)16-6-3-14(11-19(16)27-21)23(30)28-7-9-31-10-8-28/h1-6,11-12,27H,7-10,24H2,(H2,25,29)
InChIKeyZEQTWAMSJMJBET-UHFFFAOYSA-N
XLogP2.54
TPSA127.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 2-(4-aminophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide (CID 89054047) is 2-(4-aminophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 2-(4-aminophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 2-(4-aminophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide is NC(=O)c1cc(-c2ccc(N)cc2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12.
What is the InChIKey of 2-(4-aminophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is ZEQTWAMSJMJBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c24-15-4-1-13(2-5-15)18-12-17(22(25)29)21-20(26-18)16-6-3-14(11-19(16)27-21)23(30)28-7-9-31-10-8-28/h1-6,11-12,27H,7-10,24H2,(H2,25,29).
What are the key properties of 2-(4-aminophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
2-(4-aminophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 89054047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).