N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxamide

C23H25N5O3 — CID 53165981

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxamide
SMILESCc1nc2cc(N3CCCC(C(=O)Nc4ccc5c(c4)OCCO5)C3)cnc2nc1C
InChIInChI=1S/C23H25N5O3/c1-14-15(2)26-22-19(25-14)11-18(12-24-22)28-7-3-4-16(13-28)23(29)27-17-5-6-20-21(10-17)31-9-8-30-20/h5-6,10-12,16H,3-4,7-9,13H2,1-2H3,(H,27,29)
InChIKeyAHJZBIGIOPJRSB-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.27
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxamide (PubChem CID 53165981) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxamide
PubChem CID53165981
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxamide
SMILESCc1nc2cc(N3CCCC(C(=O)Nc4ccc5c(c4)OCCO5)C3)cnc2nc1C
InChIInChI=1S/C23H25N5O3/c1-14-15(2)26-22-19(25-14)11-18(12-24-22)28-7-3-4-16(13-28)23(29)27-17-5-6-20-21(10-17)31-9-8-30-20/h5-6,10-12,16H,3-4,7-9,13H2,1-2H3,(H,27,29)
InChIKeyAHJZBIGIOPJRSB-UHFFFAOYSA-N
XLogP3.27
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-methylsulfanylphenyl)piperidine-3-carboxamide
CID 53165997
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085575
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085574
1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 53166089
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 93068908
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 91950727
(3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 95100941
(3R)-1-(6-cyclopropylpyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 99873086
(3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 95100975
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40921246
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 7407406
N-(1,3-benzodioxol-5-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 20929390

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxamide (CID 53165981) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxamide is Cc1nc2cc(N3CCCC(C(=O)Nc4ccc5c(c4)OCCO5)C3)cnc2nc1C.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxamide?
The InChIKey is AHJZBIGIOPJRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-14-15(2)26-22-19(25-14)11-18(12-24-22)28-7-3-4-16(13-28)23(29)27-17-5-6-20-21(10-17)31-9-8-30-20/h5-6,10-12,16H,3-4,7-9,13H2,1-2H3,(H,27,29).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53165981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).