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

C18H17N5O2 — CID 15604763

IUPAC(3S)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESNC[C@H]1Cn2c(cc3ccc(C(=O)Nc4cccnc4)cc32)C(=O)N1
InChIInChI=1S/C18H17N5O2/c19-8-14-10-23-15-7-12(17(24)21-13-2-1-5-20-9-13)4-3-11(15)6-16(23)18(25)22-14/h1-7,9,14H,8,10,19H2,(H,21,24)(H,22,25)/t14-/m0/s1
InChIKeyMMWVUKRVNHSCOU-AWEZNQCLSA-N
MW335.37 g/mol
LogP1.36
Rot. Bonds3

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

(3S)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (PubChem CID 15604763) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
PubChem CID15604763
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name(3S)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESNC[C@H]1Cn2c(cc3ccc(C(=O)Nc4cccnc4)cc32)C(=O)N1
InChIInChI=1S/C18H17N5O2/c19-8-14-10-23-15-7-12(17(24)21-13-2-1-5-20-9-13)4-3-11(15)6-16(23)18(25)22-14/h1-7,9,14H,8,10,19H2,(H,21,24)(H,22,25)/t14-/m0/s1
InChIKeyMMWVUKRVNHSCOU-AWEZNQCLSA-N
XLogP1.36
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The IUPAC name of (3S)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (CID 15604763) is (3S)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.
What is the SMILES notation for (3S)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The canonical SMILES for (3S)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is NC[C@H]1Cn2c(cc3ccc(C(=O)Nc4cccnc4)cc32)C(=O)N1.
What is the InChIKey of (3S)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The InChIKey is MMWVUKRVNHSCOU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17N5O2/c19-8-14-10-23-15-7-12(17(24)21-13-2-1-5-20-9-13)4-3-11(15)6-16(23)18(25)22-14/h1-7,9,14H,8,10,19H2,(H,21,24)(H,22,25)/t14-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
(3S)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is sourced from PubChem (CID 15604763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).