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

C18H16N4O2 — CID 15951573

IUPAC4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccncc4)cc3c21
InChIInChI=1S/C18H16N4O2/c1-10-9-20-18(24)16-15(10)13-8-11(2-3-14(13)22-16)17(23)21-12-4-6-19-7-5-12/h2-8,10,22H,9H2,1H3,(H,20,24)(H,19,21,23)
InChIKeyOSDRBLGNCDFLBO-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.66
Rot. Bonds2

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

4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (PubChem CID 15951573) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.

Molecular Properties

Compound Name4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
PubChem CID15951573
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccncc4)cc3c21
InChIInChI=1S/C18H16N4O2/c1-10-9-20-18(24)16-15(10)13-8-11(2-3-14(13)22-16)17(23)21-12-4-6-19-7-5-12/h2-8,10,22H,9H2,1H3,(H,20,24)(H,19,21,23)
InChIKeyOSDRBLGNCDFLBO-UHFFFAOYSA-N
XLogP2.66
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The IUPAC name of 4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (CID 15951573) is 4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.
What is the SMILES notation for 4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The canonical SMILES for 4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is CC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccncc4)cc3c21.
What is the InChIKey of 4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The InChIKey is OSDRBLGNCDFLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-10-9-20-18(24)16-15(10)13-8-11(2-3-14(13)22-16)17(23)21-12-4-6-19-7-5-12/h2-8,10,22H,9H2,1H3,(H,20,24)(H,19,21,23).
What are the key properties of 4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-oxo-N-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is sourced from PubChem (CID 15951573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).