(3S,4R)-3,4-dimethyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

C19H18N4O2 — CID 57390566

IUPAC(3S,4R)-3,4-dimethyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESC[C@@H]1NC(=O)c2cc3ccc(C(=O)Nc4cccnc4)cc3n2[C@@H]1C
InChIInChI=1S/C19H18N4O2/c1-11-12(2)23-16-9-14(18(24)22-15-4-3-7-20-10-15)6-5-13(16)8-17(23)19(25)21-11/h3-12H,1-2H3,(H,21,25)(H,22,24)/t11-,12+/m0/s1
InChIKeyTUGLLILZLOHMCZ-NWDGAFQWSA-N
MW334.38 g/mol
LogP2.98
Rot. Bonds2

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

(3S,4R)-3,4-dimethyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (PubChem CID 57390566) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (3S,4R)-3,4-dimethyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.

Molecular Properties

Compound Name(3S,4R)-3,4-dimethyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
PubChem CID57390566
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name(3S,4R)-3,4-dimethyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESC[C@@H]1NC(=O)c2cc3ccc(C(=O)Nc4cccnc4)cc3n2[C@@H]1C
InChIInChI=1S/C19H18N4O2/c1-11-12(2)23-16-9-14(18(24)22-15-4-3-7-20-10-15)6-5-13(16)8-17(23)19(25)21-11/h3-12H,1-2H3,(H,21,25)(H,22,24)/t11-,12+/m0/s1
InChIKeyTUGLLILZLOHMCZ-NWDGAFQWSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4-dimethyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The IUPAC name of (3S,4R)-3,4-dimethyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (CID 57390566) is (3S,4R)-3,4-dimethyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.
What is the SMILES notation for (3S,4R)-3,4-dimethyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The canonical SMILES for (3S,4R)-3,4-dimethyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is C[C@@H]1NC(=O)c2cc3ccc(C(=O)Nc4cccnc4)cc3n2[C@@H]1C.
What is the InChIKey of (3S,4R)-3,4-dimethyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The InChIKey is TUGLLILZLOHMCZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-11-12(2)23-16-9-14(18(24)22-15-4-3-7-20-10-15)6-5-13(16)8-17(23)19(25)21-11/h3-12H,1-2H3,(H,21,25)(H,22,24)/t11-,12+/m0/s1.
What are the key properties of (3S,4R)-3,4-dimethyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
(3S,4R)-3,4-dimethyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-dimethyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is sourced from PubChem (CID 57390566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).