6-amino-N-morpholin-4-yl-1H-indole-3-carboxamide

C13H16N4O2 — CID 83012813

IUPAC6-amino-N-morpholin-4-yl-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)NN3CCOCC3)c[nH]c2c1
InChIInChI=1S/C13H16N4O2/c14-9-1-2-10-11(8-15-12(10)7-9)13(18)16-17-3-5-19-6-4-17/h1-2,7-8,15H,3-6,14H2,(H,16,18)
InChIKeyFKSGKLYSYYFZBD-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.73
Rot. Bonds2

About 6-amino-N-morpholin-4-yl-1H-indole-3-carboxamide

6-amino-N-morpholin-4-yl-1H-indole-3-carboxamide (PubChem CID 83012813) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-amino-N-morpholin-4-yl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-morpholin-4-yl-1H-indole-3-carboxamide
PubChem CID83012813
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name6-amino-N-morpholin-4-yl-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)NN3CCOCC3)c[nH]c2c1
InChIInChI=1S/C13H16N4O2/c14-9-1-2-10-11(8-15-12(10)7-9)13(18)16-17-3-5-19-6-4-17/h1-2,7-8,15H,3-6,14H2,(H,16,18)
InChIKeyFKSGKLYSYYFZBD-UHFFFAOYSA-N
XLogP0.73
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-morpholin-4-yl-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-morpholin-4-yl-1H-indole-3-carboxamide (CID 83012813) is 6-amino-N-morpholin-4-yl-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-morpholin-4-yl-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-morpholin-4-yl-1H-indole-3-carboxamide is Nc1ccc2c(C(=O)NN3CCOCC3)c[nH]c2c1.
What is the InChIKey of 6-amino-N-morpholin-4-yl-1H-indole-3-carboxamide?
The InChIKey is FKSGKLYSYYFZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-9-1-2-10-11(8-15-12(10)7-9)13(18)16-17-3-5-19-6-4-17/h1-2,7-8,15H,3-6,14H2,(H,16,18).
What are the key properties of 6-amino-N-morpholin-4-yl-1H-indole-3-carboxamide?
6-amino-N-morpholin-4-yl-1H-indole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-morpholin-4-yl-1H-indole-3-carboxamide is sourced from PubChem (CID 83012813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).