(1S)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

C18H20N4O2 — CID 95195713

IUPAC(1S)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
SMILESCc1cc(CNC(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C)no1
InChIInChI=1S/C18H20N4O2/c1-11-9-13(21-24-11)10-19-18(23)22-8-7-15-14-5-3-4-6-16(14)20-17(15)12(22)2/h3-6,9,12,20H,7-8,10H2,1-2H3,(H,19,23)/t12-/m0/s1
InChIKeyQCCVRIYVPSYONF-LBPRGKRZSA-N
MW324.38 g/mol
LogP3.29
Rot. Bonds2

About (1S)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide

(1S)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (PubChem CID 95195713) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (1S)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.

Molecular Properties

Compound Name(1S)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
PubChem CID95195713
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(1S)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
SMILESCc1cc(CNC(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C)no1
InChIInChI=1S/C18H20N4O2/c1-11-9-13(21-24-11)10-19-18(23)22-8-7-15-14-5-3-4-6-16(14)20-17(15)12(22)2/h3-6,9,12,20H,7-8,10H2,1-2H3,(H,19,23)/t12-/m0/s1
InChIKeyQCCVRIYVPSYONF-LBPRGKRZSA-N
XLogP3.29
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S)-1-methyl-N-[(5-methyl-1,2-oxazol-3-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

(1S)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 94677104
(1S)-N-(2-methoxyethyl)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 94676881
(1R)-1-methyl-N-(2-morpholin-4-ylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 94678301
(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
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333601
(2-methylpyrazol-3-yl)-[(1R)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
CID 94825109
(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
(1S)-1-(4-methylphenyl)-N-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 92706530
(1S)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 94677079

Frequently Asked Questions

What is the IUPAC name of (1S)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The IUPAC name of (1S)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide (CID 95195713) is (1S)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide.
What is the SMILES notation for (1S)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The canonical SMILES for (1S)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is Cc1cc(CNC(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C)no1.
What is the InChIKey of (1S)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
The InChIKey is QCCVRIYVPSYONF-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11-9-13(21-24-11)10-19-18(23)22-8-7-15-14-5-3-4-6-16(14)20-17(15)12(22)2/h3-6,9,12,20H,7-8,10H2,1-2H3,(H,19,23)/t12-/m0/s1.
What are the key properties of (1S)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide?
(1S)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide is sourced from PubChem (CID 95195713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).