4-methyl-N-(1,2-oxazol-3-yl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide

C16H14N4O3 — CID 15951958

IUPAC4-methyl-N-(1,2-oxazol-3-yl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccon4)cc3c21
InChIInChI=1S/C16H14N4O3/c1-8-7-17-16(22)14-13(8)10-6-9(2-3-11(10)18-14)15(21)19-12-4-5-23-20-12/h2-6,8,18H,7H2,1H3,(H,17,22)(H,19,20,21)
InChIKeySVWGBKUPNDCMTC-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.26
Rot. Bonds2

About 4-methyl-N-(1,2-oxazol-3-yl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide

4-methyl-N-(1,2-oxazol-3-yl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (PubChem CID 15951958) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 4-methyl-N-(1,2-oxazol-3-yl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1,2-oxazol-3-yl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
PubChem CID15951958
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name4-methyl-N-(1,2-oxazol-3-yl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccon4)cc3c21
InChIInChI=1S/C16H14N4O3/c1-8-7-17-16(22)14-13(8)10-6-9(2-3-11(10)18-14)15(21)19-12-4-5-23-20-12/h2-6,8,18H,7H2,1H3,(H,17,22)(H,19,20,21)
InChIKeySVWGBKUPNDCMTC-UHFFFAOYSA-N
XLogP2.26
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 4-methyl-N-(1,2-oxazol-3-yl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The IUPAC name of 4-methyl-N-(1,2-oxazol-3-yl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (CID 15951958) is 4-methyl-N-(1,2-oxazol-3-yl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.
What is the SMILES notation for 4-methyl-N-(1,2-oxazol-3-yl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The canonical SMILES for 4-methyl-N-(1,2-oxazol-3-yl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is CC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccon4)cc3c21.
What is the InChIKey of 4-methyl-N-(1,2-oxazol-3-yl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The InChIKey is SVWGBKUPNDCMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-8-7-17-16(22)14-13(8)10-6-9(2-3-11(10)18-14)15(21)19-12-4-5-23-20-12/h2-6,8,18H,7H2,1H3,(H,17,22)(H,19,20,21).
What are the key properties of 4-methyl-N-(1,2-oxazol-3-yl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
4-methyl-N-(1,2-oxazol-3-yl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,2-oxazol-3-yl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is sourced from PubChem (CID 15951958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).