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

C17H15N5O2 — CID 15952051

IUPAC4-methyl-1-oxo-N-pyrazin-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cnccn4)cc3c21
InChIInChI=1S/C17H15N5O2/c1-9-7-20-17(24)15-14(9)11-6-10(2-3-12(11)21-15)16(23)22-13-8-18-4-5-19-13/h2-6,8-9,21H,7H2,1H3,(H,20,24)(H,19,22,23)
InChIKeySCZSZUZHNGMDLI-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.06
Rot. Bonds2

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

4-methyl-1-oxo-N-pyrazin-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (PubChem CID 15952051) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-methyl-1-oxo-N-pyrazin-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.

Molecular Properties

Compound Name4-methyl-1-oxo-N-pyrazin-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
PubChem CID15952051
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name4-methyl-1-oxo-N-pyrazin-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cnccn4)cc3c21
InChIInChI=1S/C17H15N5O2/c1-9-7-20-17(24)15-14(9)11-6-10(2-3-12(11)21-15)16(23)22-13-8-18-4-5-19-13/h2-6,8-9,21H,7H2,1H3,(H,20,24)(H,19,22,23)
InChIKeySCZSZUZHNGMDLI-UHFFFAOYSA-N
XLogP2.06
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.06
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-1-oxo-N-pyrazin-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The IUPAC name of 4-methyl-1-oxo-N-pyrazin-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (CID 15952051) is 4-methyl-1-oxo-N-pyrazin-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.
What is the SMILES notation for 4-methyl-1-oxo-N-pyrazin-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The canonical SMILES for 4-methyl-1-oxo-N-pyrazin-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is CC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cnccn4)cc3c21.
What is the InChIKey of 4-methyl-1-oxo-N-pyrazin-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The InChIKey is SCZSZUZHNGMDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-9-7-20-17(24)15-14(9)11-6-10(2-3-12(11)21-15)16(23)22-13-8-18-4-5-19-13/h2-6,8-9,21H,7H2,1H3,(H,20,24)(H,19,22,23).
What are the key properties of 4-methyl-1-oxo-N-pyrazin-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
4-methyl-1-oxo-N-pyrazin-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-oxo-N-pyrazin-2-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is sourced from PubChem (CID 15952051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).