4,4-dimethyl-1-oxo-N-pyridin-3-yl-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide

C19H18N4O2 — CID 15604847

IUPAC4,4-dimethyl-1-oxo-N-pyridin-3-yl-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide
SMILESCC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4cccnc4)cc3n21
InChIInChI=1S/C19H18N4O2/c1-19(2)11-21-18(25)16-8-12-5-6-13(9-15(12)23(16)19)17(24)22-14-4-3-7-20-10-14/h3-10H,11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyDZZUEPMVAFYJPR-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.77
Rot. Bonds2

About 4,4-dimethyl-1-oxo-N-pyridin-3-yl-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide

4,4-dimethyl-1-oxo-N-pyridin-3-yl-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide (PubChem CID 15604847) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4,4-dimethyl-1-oxo-N-pyridin-3-yl-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide.

Molecular Properties

Compound Name4,4-dimethyl-1-oxo-N-pyridin-3-yl-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide
PubChem CID15604847
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name4,4-dimethyl-1-oxo-N-pyridin-3-yl-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide
SMILESCC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4cccnc4)cc3n21
InChIInChI=1S/C19H18N4O2/c1-19(2)11-21-18(25)16-8-12-5-6-13(9-15(12)23(16)19)17(24)22-14-4-3-7-20-10-14/h3-10H,11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyDZZUEPMVAFYJPR-UHFFFAOYSA-N
XLogP2.77
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-oxo-N-pyridin-3-yl-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide?
The IUPAC name of 4,4-dimethyl-1-oxo-N-pyridin-3-yl-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide (CID 15604847) is 4,4-dimethyl-1-oxo-N-pyridin-3-yl-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide.
What is the SMILES notation for 4,4-dimethyl-1-oxo-N-pyridin-3-yl-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide?
The canonical SMILES for 4,4-dimethyl-1-oxo-N-pyridin-3-yl-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide is CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4cccnc4)cc3n21.
What is the InChIKey of 4,4-dimethyl-1-oxo-N-pyridin-3-yl-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide?
The InChIKey is DZZUEPMVAFYJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-19(2)11-21-18(25)16-8-12-5-6-13(9-15(12)23(16)19)17(24)22-14-4-3-7-20-10-14/h3-10H,11H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 4,4-dimethyl-1-oxo-N-pyridin-3-yl-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide?
4,4-dimethyl-1-oxo-N-pyridin-3-yl-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-oxo-N-pyridin-3-yl-2,3-dihydropyrazino[1,2-a]indole-7-carboxamide is sourced from PubChem (CID 15604847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).