4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

C18H16N4O2 — CID 11964005

IUPAC4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESCC1CNC(=O)c2cc3ccc(C(=O)Nc4cccnc4)cc3n21
InChIInChI=1S/C18H16N4O2/c1-11-9-20-18(24)16-7-12-4-5-13(8-15(12)22(11)16)17(23)21-14-3-2-6-19-10-14/h2-8,10-11H,9H2,1H3,(H,20,24)(H,21,23)
InChIKeyNDCRHTQLZWHNTR-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.59
Rot. Bonds2

About 4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (PubChem CID 11964005) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.

Molecular Properties

Compound Name4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
PubChem CID11964005
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESCC1CNC(=O)c2cc3ccc(C(=O)Nc4cccnc4)cc3n21
InChIInChI=1S/C18H16N4O2/c1-11-9-20-18(24)16-7-12-4-5-13(8-15(12)22(11)16)17(23)21-14-3-2-6-19-10-14/h2-8,10-11H,9H2,1H3,(H,20,24)(H,21,23)
InChIKeyNDCRHTQLZWHNTR-UHFFFAOYSA-N
XLogP2.59
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The IUPAC name of 4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (CID 11964005) is 4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.
What is the SMILES notation for 4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The canonical SMILES for 4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is CC1CNC(=O)c2cc3ccc(C(=O)Nc4cccnc4)cc3n21.
What is the InChIKey of 4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The InChIKey is NDCRHTQLZWHNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-11-9-20-18(24)16-7-12-4-5-13(8-15(12)22(11)16)17(23)21-14-3-2-6-19-10-14/h2-8,10-11H,9H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is sourced from PubChem (CID 11964005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).