2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide

C14H18Cl2N4O — CID 102682516

IUPAC2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide
SMILESO=C(CN1CC2CCCNC2C1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N4O/c15-10-4-11(16)14(18-5-10)19-13(21)8-20-6-9-2-1-3-17-12(9)7-20/h4-5,9,12,17H,1-3,6-8H2,(H,18,19,21)
InChIKeySCNRNPWYMHZFIM-UHFFFAOYSA-N
MW329.23 g/mol
LogP2.01
Rot. Bonds3

About 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide

2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide (PubChem CID 102682516) has the molecular formula C14H18Cl2N4O and a molecular weight of 329.23 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide
PubChem CID102682516
Molecular FormulaC14H18Cl2N4O
Molecular Weight329.23 g/mol
Exact Mass328.09
IUPAC Name2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide
SMILESO=C(CN1CC2CCCNC2C1)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N4O/c15-10-4-11(16)14(18-5-10)19-13(21)8-20-6-9-2-1-3-17-12(9)7-20/h4-5,9,12,17H,1-3,6-8H2,(H,18,19,21)
InChIKeySCNRNPWYMHZFIM-UHFFFAOYSA-N
XLogP2.01
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide with MolForge

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Related Compounds

2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(4-chlorophenyl)acetamide
CID 102683207
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3,5-difluorophenyl)acetamide
CID 102681991
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 102682793
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(4-chloro-2-methylphenyl)acetamide
CID 102682851
2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 8538814
2-[1-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64617732
N-(3,5-dichloro-2-pyridinyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8538810
N-(3,5-dichloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115966875
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3-fluorophenyl)acetamide
CID 102682225
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 102683011
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(2,4-difluorophenyl)acetamide
CID 102682859
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 102683223

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide?
The IUPAC name of 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide (CID 102682516) is 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide is O=C(CN1CC2CCCNC2C1)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide?
The InChIKey is SCNRNPWYMHZFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N4O/c15-10-4-11(16)14(18-5-10)19-13(21)8-20-6-9-2-1-3-17-12(9)7-20/h4-5,9,12,17H,1-3,6-8H2,(H,18,19,21).
What are the key properties of 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide?
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide has a molecular weight of 329.23 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide is sourced from PubChem (CID 102682516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).