3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carbonyl]-5-chloro-1H-pyridin-2-one

C14H19ClN4O2 — CID 95127554

IUPAC3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carbonyl]-5-chloro-1H-pyridin-2-one
SMILESCN1CCN2CCN(C(=O)c3cc(Cl)c[nH]c3=O)C[C@@H]2C1
InChIInChI=1S/C14H19ClN4O2/c1-17-2-3-18-4-5-19(9-11(18)8-17)14(21)12-6-10(15)7-16-13(12)20/h6-7,11H,2-5,8-9H2,1H3,(H,16,20)/t11-/m0/s1
InChIKeyJKZMPDAZLMEBEO-NSHDSACASA-N
MW310.79 g/mol
LogP0.10
Rot. Bonds1

About 3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carbonyl]-5-chloro-1H-pyridin-2-one

3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carbonyl]-5-chloro-1H-pyridin-2-one (PubChem CID 95127554) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carbonyl]-5-chloro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carbonyl]-5-chloro-1H-pyridin-2-one
PubChem CID95127554
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carbonyl]-5-chloro-1H-pyridin-2-one
SMILESCN1CCN2CCN(C(=O)c3cc(Cl)c[nH]c3=O)C[C@@H]2C1
InChIInChI=1S/C14H19ClN4O2/c1-17-2-3-18-4-5-19(9-11(18)8-17)14(21)12-6-10(15)7-16-13(12)20/h6-7,11H,2-5,8-9H2,1H3,(H,16,20)/t11-/m0/s1
InChIKeyJKZMPDAZLMEBEO-NSHDSACASA-N
XLogP0.10
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carbonyl]-5-chloro-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3-chloro-5-methoxyphenyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone
CID 50955951
4-(5-chloro-2-oxo-1H-pyridine-3-carbonyl)-1-cyclohexylpiperazin-2-one
CID 86285127
5-chloro-3-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 95548977
5-chloro-3-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 77090270
[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 124752545
(4-chloro-1H-pyrrol-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 56820747
3-[(3R,9aS)-8-(2-chloro-3-methoxybenzoyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-3-yl]-5-chloro-1H-pyridin-2-one
CID 155484579
[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-(5-methyl-1H-indol-2-yl)methanone
CID 98741991
(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-methyl-1H-indol-2-yl)methanone
CID 50958229
5-chloro-2-oxo-1H-pyridine-3-carbonyl chloride
CID 45081691
(3,5-difluoro-2-pyridinyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone
CID 91783251
(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
CID 50978348

Frequently Asked Questions

What is the IUPAC name of 3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carbonyl]-5-chloro-1H-pyridin-2-one?
The IUPAC name of 3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carbonyl]-5-chloro-1H-pyridin-2-one (CID 95127554) is 3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carbonyl]-5-chloro-1H-pyridin-2-one.
What is the SMILES notation for 3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carbonyl]-5-chloro-1H-pyridin-2-one?
The canonical SMILES for 3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carbonyl]-5-chloro-1H-pyridin-2-one is CN1CCN2CCN(C(=O)c3cc(Cl)c[nH]c3=O)C[C@@H]2C1.
What is the InChIKey of 3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carbonyl]-5-chloro-1H-pyridin-2-one?
The InChIKey is JKZMPDAZLMEBEO-NSHDSACASA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-17-2-3-18-4-5-19(9-11(18)8-17)14(21)12-6-10(15)7-16-13(12)20/h6-7,11H,2-5,8-9H2,1H3,(H,16,20)/t11-/m0/s1.
What are the key properties of 3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carbonyl]-5-chloro-1H-pyridin-2-one?
3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carbonyl]-5-chloro-1H-pyridin-2-one has a molecular weight of 310.79 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carbonyl]-5-chloro-1H-pyridin-2-one is sourced from PubChem (CID 95127554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).