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

C17H14N4O2 — CID 15604675

IUPAC1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc2cc3n(c2c1)CCNC3=O
InChIInChI=1S/C17H14N4O2/c22-16(20-13-2-1-5-18-10-13)12-4-3-11-8-15-17(23)19-6-7-21(15)14(11)9-12/h1-5,8-10H,6-7H2,(H,19,23)(H,20,22)
InChIKeyYMFJIJWPXNXALF-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.03
Rot. Bonds2

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

1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (PubChem CID 15604675) has the molecular formula C17H14N4O2 and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.

Molecular Properties

Compound Name1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
PubChem CID15604675
Molecular FormulaC17H14N4O2
Molecular Weight306.32 g/mol
Exact Mass306.11
IUPAC Name1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc2cc3n(c2c1)CCNC3=O
InChIInChI=1S/C17H14N4O2/c22-16(20-13-2-1-5-18-10-13)12-4-3-11-8-15-17(23)19-6-7-21(15)14(11)9-12/h1-5,8-10H,6-7H2,(H,19,23)(H,20,22)
InChIKeyYMFJIJWPXNXALF-UHFFFAOYSA-N
XLogP2.03
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The IUPAC name of 1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (CID 15604675) is 1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.
What is the SMILES notation for 1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The canonical SMILES for 1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is O=C(Nc1cccnc1)c1ccc2cc3n(c2c1)CCNC3=O.
What is the InChIKey of 1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The InChIKey is YMFJIJWPXNXALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c22-16(20-13-2-1-5-18-10-13)12-4-3-11-8-15-17(23)19-6-7-21(15)14(11)9-12/h1-5,8-10H,6-7H2,(H,19,23)(H,20,22).
What are the key properties of 1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is sourced from PubChem (CID 15604675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).