5-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyrido[4,3-b]indole-4-carboxamide

C20H21N5O3 — CID 122604817

IUPAC5-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cncc2c3ccccc3n(N3CCCC4(C3)C(=O)NCC4O)c12
InChIInChI=1S/C20H21N5O3/c21-18(27)14-9-22-8-13-12-4-1-2-5-15(12)25(17(13)14)24-7-3-6-20(11-24)16(26)10-23-19(20)28/h1-2,4-5,8-9,16,26H,3,6-7,10-11H2,(H2,21,27)(H,23,28)
InChIKeyMYEMSNLCNKGLML-UHFFFAOYSA-N
MW379.42 g/mol
LogP0.50
Rot. Bonds2

About 5-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyrido[4,3-b]indole-4-carboxamide

5-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyrido[4,3-b]indole-4-carboxamide (PubChem CID 122604817) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 5-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyrido[4,3-b]indole-4-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyrido[4,3-b]indole-4-carboxamide
PubChem CID122604817
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name5-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyrido[4,3-b]indole-4-carboxamide
SMILESNC(=O)c1cncc2c3ccccc3n(N3CCCC4(C3)C(=O)NCC4O)c12
InChIInChI=1S/C20H21N5O3/c21-18(27)14-9-22-8-13-12-4-1-2-5-15(12)25(17(13)14)24-7-3-6-20(11-24)16(26)10-23-19(20)28/h1-2,4-5,8-9,16,26H,3,6-7,10-11H2,(H2,21,27)(H,23,28)
InChIKeyMYEMSNLCNKGLML-UHFFFAOYSA-N
XLogP0.50
TPSA113.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyrido[4,3-b]indole-4-carboxamide?
The IUPAC name of 5-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyrido[4,3-b]indole-4-carboxamide (CID 122604817) is 5-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyrido[4,3-b]indole-4-carboxamide.
What is the SMILES notation for 5-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyrido[4,3-b]indole-4-carboxamide?
The canonical SMILES for 5-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyrido[4,3-b]indole-4-carboxamide is NC(=O)c1cncc2c3ccccc3n(N3CCCC4(C3)C(=O)NCC4O)c12.
What is the InChIKey of 5-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyrido[4,3-b]indole-4-carboxamide?
The InChIKey is MYEMSNLCNKGLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c21-18(27)14-9-22-8-13-12-4-1-2-5-15(12)25(17(13)14)24-7-3-6-20(11-24)16(26)10-23-19(20)28/h1-2,4-5,8-9,16,26H,3,6-7,10-11H2,(H2,21,27)(H,23,28).
What are the key properties of 5-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyrido[4,3-b]indole-4-carboxamide?
5-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyrido[4,3-b]indole-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyrido[4,3-b]indole-4-carboxamide is sourced from PubChem (CID 122604817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).