(1S)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

C18H23N3O2 — CID 94677104

IUPAC(1S)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
SMILESC[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C18H23N3O2/c1-12-17-15(14-6-2-3-7-16(14)20-17)8-9-21(12)18(22)19-11-13-5-4-10-23-13/h2-3,6-7,12-13,20H,4-5,8-11H2,1H3,(H,19,22)/t12-,13-/m0/s1
InChIKeyFVVOUAMMSYYRCI-STQMWFEESA-N
MW313.40 g/mol
LogP2.98
Rot. Bonds2

About (1S)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

(1S)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (PubChem CID 94677104) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (1S)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.

Molecular Properties

Compound Name(1S)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
PubChem CID94677104
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(1S)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
SMILESC[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C18H23N3O2/c1-12-17-15(14-6-2-3-7-16(14)20-17)8-9-21(12)18(22)19-11-13-5-4-10-23-13/h2-3,6-7,12-13,20H,4-5,8-11H2,1H3,(H,19,22)/t12-,13-/m0/s1
InChIKeyFVVOUAMMSYYRCI-STQMWFEESA-N
XLogP2.98
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-methyl-N-(2-morpholin-4-ylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 94678301
(1S)-N-(2-methoxyethyl)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 94676881
(1R)-1-methyl-N-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 975742
1-[(1R)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-one
CID 94208009
3-methyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 110849538
(1S)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 94677079
2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 2977759
(2S)-2-methoxy-1-[(1R)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-one
CID 94200995
N-[6-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-6-oxohexyl]acetamide
CID 51088391
N-acetyl-N-ethyl-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 118884588
4-[(2S)-2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 6576373
[(2R)-1-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1-oxopropan-2-yl]urea
CID 94639268

Frequently Asked Questions

What is the IUPAC name of (1S)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The IUPAC name of (1S)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (CID 94677104) is (1S)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.
What is the SMILES notation for (1S)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The canonical SMILES for (1S)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of (1S)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The InChIKey is FVVOUAMMSYYRCI-STQMWFEESA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-17-15(14-6-2-3-7-16(14)20-17)8-9-21(12)18(22)19-11-13-5-4-10-23-13/h2-3,6-7,12-13,20H,4-5,8-11H2,1H3,(H,19,22)/t12-,13-/m0/s1.
What are the key properties of (1S)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
(1S)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is sourced from PubChem (CID 94677104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).