1-amino-7-hydroxy-N,4-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-3-carboxamide

C14H19N3O2 — CID 67692858

IUPAC1-amino-7-hydroxy-N,4-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-3-carboxamide
SMILESCNC(=O)C1CC(N)C2c3cc(O)ccc3N(C)C12
InChIInChI=1S/C14H19N3O2/c1-16-14(19)9-6-10(15)12-8-5-7(18)3-4-11(8)17(2)13(9)12/h3-5,9-10,12-13,18H,6,15H2,1-2H3,(H,16,19)
InChIKeyOXKJUHCWKPUGNG-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.39
Rot. Bonds1

About 1-amino-7-hydroxy-N,4-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-3-carboxamide

1-amino-7-hydroxy-N,4-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-3-carboxamide (PubChem CID 67692858) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-amino-7-hydroxy-N,4-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-3-carboxamide.

Molecular Properties

Compound Name1-amino-7-hydroxy-N,4-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-3-carboxamide
PubChem CID67692858
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-amino-7-hydroxy-N,4-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-3-carboxamide
SMILESCNC(=O)C1CC(N)C2c3cc(O)ccc3N(C)C12
InChIInChI=1S/C14H19N3O2/c1-16-14(19)9-6-10(15)12-8-5-7(18)3-4-11(8)17(2)13(9)12/h3-5,9-10,12-13,18H,6,15H2,1-2H3,(H,16,19)
InChIKeyOXKJUHCWKPUGNG-UHFFFAOYSA-N
XLogP0.39
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-7-hydroxy-N,4-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-3-carboxamide?
The IUPAC name of 1-amino-7-hydroxy-N,4-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-3-carboxamide (CID 67692858) is 1-amino-7-hydroxy-N,4-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-3-carboxamide.
What is the SMILES notation for 1-amino-7-hydroxy-N,4-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-3-carboxamide?
The canonical SMILES for 1-amino-7-hydroxy-N,4-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-3-carboxamide is CNC(=O)C1CC(N)C2c3cc(O)ccc3N(C)C12.
What is the InChIKey of 1-amino-7-hydroxy-N,4-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-3-carboxamide?
The InChIKey is OXKJUHCWKPUGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16-14(19)9-6-10(15)12-8-5-7(18)3-4-11(8)17(2)13(9)12/h3-5,9-10,12-13,18H,6,15H2,1-2H3,(H,16,19).
What are the key properties of 1-amino-7-hydroxy-N,4-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-3-carboxamide?
1-amino-7-hydroxy-N,4-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-3-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7-hydroxy-N,4-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-3-carboxamide is sourced from PubChem (CID 67692858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).