propan-2-yl N-[(2S)-6-cyano-9-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydrocarbazol-2-yl]carbamate

C23H24N4O2 — CID 156811582

IUPACpropan-2-yl N-[(2S)-6-cyano-9-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydrocarbazol-2-yl]carbamate
SMILESCC(C)OC(=O)N[C@H]1CCc2c(n(Cc3ccccn3)c3ccc(C#N)cc23)C1
InChIInChI=1S/C23H24N4O2/c1-15(2)29-23(28)26-17-7-8-19-20-11-16(13-24)6-9-21(20)27(22(19)12-17)14-18-5-3-4-10-25-18/h3-6,9-11,15,17H,7-8,12,14H2,1-2H3,(H,26,28)/t17-/m0/s1
InChIKeyZAUXZXCXXJEQSG-KRWDZBQOSA-N
MW388.47 g/mol
LogP3.95
Rot. Bonds4

About propan-2-yl N-[(2S)-6-cyano-9-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydrocarbazol-2-yl]carbamate

propan-2-yl N-[(2S)-6-cyano-9-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydrocarbazol-2-yl]carbamate (PubChem CID 156811582) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is propan-2-yl N-[(2S)-6-cyano-9-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydrocarbazol-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2S)-6-cyano-9-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydrocarbazol-2-yl]carbamate
PubChem CID156811582
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Namepropan-2-yl N-[(2S)-6-cyano-9-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydrocarbazol-2-yl]carbamate
SMILESCC(C)OC(=O)N[C@H]1CCc2c(n(Cc3ccccn3)c3ccc(C#N)cc23)C1
InChIInChI=1S/C23H24N4O2/c1-15(2)29-23(28)26-17-7-8-19-20-11-16(13-24)6-9-21(20)27(22(19)12-17)14-18-5-3-4-10-25-18/h3-6,9-11,15,17H,7-8,12,14H2,1-2H3,(H,26,28)/t17-/m0/s1
InChIKeyZAUXZXCXXJEQSG-KRWDZBQOSA-N
XLogP3.95
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2S)-6-cyano-9-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydrocarbazol-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[(2S)-6-cyano-9-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydrocarbazol-2-yl]carbamate (CID 156811582) is propan-2-yl N-[(2S)-6-cyano-9-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydrocarbazol-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2S)-6-cyano-9-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydrocarbazol-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[(2S)-6-cyano-9-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydrocarbazol-2-yl]carbamate is CC(C)OC(=O)N[C@H]1CCc2c(n(Cc3ccccn3)c3ccc(C#N)cc23)C1.
What is the InChIKey of propan-2-yl N-[(2S)-6-cyano-9-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydrocarbazol-2-yl]carbamate?
The InChIKey is ZAUXZXCXXJEQSG-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15(2)29-23(28)26-17-7-8-19-20-11-16(13-24)6-9-21(20)27(22(19)12-17)14-18-5-3-4-10-25-18/h3-6,9-11,15,17H,7-8,12,14H2,1-2H3,(H,26,28)/t17-/m0/s1.
What are the key properties of propan-2-yl N-[(2S)-6-cyano-9-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydrocarbazol-2-yl]carbamate?
propan-2-yl N-[(2S)-6-cyano-9-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydrocarbazol-2-yl]carbamate has a molecular weight of 388.47 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2S)-6-cyano-9-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydrocarbazol-2-yl]carbamate is sourced from PubChem (CID 156811582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).