N-(5-chloro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

C16H22ClN3O — CID 20920182

IUPACN-(5-chloro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)N1CCN2CCCCC2C1
InChIInChI=1S/C16H22ClN3O/c1-12-5-6-13(17)10-15(12)18-16(21)20-9-8-19-7-3-2-4-14(19)11-20/h5-6,10,14H,2-4,7-9,11H2,1H3,(H,18,21)
InChIKeyRAAGTZUWXSWKDX-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.35
Rot. Bonds1

About N-(5-chloro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

N-(5-chloro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide (PubChem CID 20920182) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
PubChem CID20920182
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC NameN-(5-chloro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)N1CCN2CCCCC2C1
InChIInChI=1S/C16H22ClN3O/c1-12-5-6-13(17)10-15(12)18-16(21)20-9-8-19-7-3-2-4-14(19)11-20/h5-6,10,14H,2-4,7-9,11H2,1H3,(H,18,21)
InChIKeyRAAGTZUWXSWKDX-UHFFFAOYSA-N
XLogP3.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
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(3R)-N-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 25302330
ethyl 1-[(5-chloro-2-methylphenyl)carbamoyl]piperidine-4-carboxylate
CID 3754378
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
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CID 2970234
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2-[1-[(5-chloro-2-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide (CID 20920182) is N-(5-chloro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide is Cc1ccc(Cl)cc1NC(=O)N1CCN2CCCCC2C1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
The InChIKey is RAAGTZUWXSWKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-12-5-6-13(17)10-15(12)18-16(21)20-9-8-19-7-3-2-4-14(19)11-20/h5-6,10,14H,2-4,7-9,11H2,1H3,(H,18,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
N-(5-chloro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide has a molecular weight of 307.82 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 20920182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).