3-acetyl-N-(6-cyclopentyloxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide

C18H23N3O3 — CID 139021917

IUPAC3-acetyl-N-(6-cyclopentyloxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide
SMILESCC(=O)N1CC2CC2(C(=O)Nc2ccc(OC3CCCC3)nc2)C1
InChIInChI=1S/C18H23N3O3/c1-12(22)21-10-13-8-18(13,11-21)17(23)20-14-6-7-16(19-9-14)24-15-4-2-3-5-15/h6-7,9,13,15H,2-5,8,10-11H2,1H3,(H,20,23)
InChIKeyMJMFJUGFRWWELQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.21
Rot. Bonds4

About 3-acetyl-N-(6-cyclopentyloxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide

3-acetyl-N-(6-cyclopentyloxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide (PubChem CID 139021917) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-acetyl-N-(6-cyclopentyloxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-(6-cyclopentyloxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide
PubChem CID139021917
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-acetyl-N-(6-cyclopentyloxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide
SMILESCC(=O)N1CC2CC2(C(=O)Nc2ccc(OC3CCCC3)nc2)C1
InChIInChI=1S/C18H23N3O3/c1-12(22)21-10-13-8-18(13,11-21)17(23)20-14-6-7-16(19-9-14)24-15-4-2-3-5-15/h6-7,9,13,15H,2-5,8,10-11H2,1H3,(H,20,23)
InChIKeyMJMFJUGFRWWELQ-UHFFFAOYSA-N
XLogP2.21
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-acetyl-N-(6-cyclopentyloxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide with MolForge

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Related Compounds

(4S)-N-(6-cyclopentyloxy-3-pyridinyl)-4-(dimethylamino)azepane-1-carboxamide
CID 125138699
methyl 4-[[5-(2-oxopropanoylamino)-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 143766436
1-(6-cyclopentyloxy-3-pyridinyl)-3-(1,1-dioxothian-4-yl)urea
CID 136534294
N-(6-cyclopentyloxy-3-pyridinyl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide
CID 122153298
6-cyclopentyloxy-N-[2-(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide
CID 122298052
6-cyclopentyloxy-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-3-carboxamide
CID 122298313
1-[4-[3-[(2-cyanophenyl)methyl-methylamino]pyrrolidin-1-yl]phenyl]-3-(6-cyclopentyloxy-3-pyridinyl)urea
CID 58866952
1-acetyl-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 87005295
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]propanamide
CID 55939369
1-acetyl-N-(6-methoxy-3-pyridinyl)-4-phenylpiperidine-4-carboxamide
CID 39898355
1-(6-cyclopentyloxy-3-pyridinyl)-3-[2-(1,4-oxazepan-4-yl)ethyl]urea
CID 136534293
methyl 2-[4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexyl]acetate
CID 67087473

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(6-cyclopentyloxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The IUPAC name of 3-acetyl-N-(6-cyclopentyloxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide (CID 139021917) is 3-acetyl-N-(6-cyclopentyloxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide.
What is the SMILES notation for 3-acetyl-N-(6-cyclopentyloxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The canonical SMILES for 3-acetyl-N-(6-cyclopentyloxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide is CC(=O)N1CC2CC2(C(=O)Nc2ccc(OC3CCCC3)nc2)C1.
What is the InChIKey of 3-acetyl-N-(6-cyclopentyloxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The InChIKey is MJMFJUGFRWWELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(22)21-10-13-8-18(13,11-21)17(23)20-14-6-7-16(19-9-14)24-15-4-2-3-5-15/h6-7,9,13,15H,2-5,8,10-11H2,1H3,(H,20,23).
What are the key properties of 3-acetyl-N-(6-cyclopentyloxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide?
3-acetyl-N-(6-cyclopentyloxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(6-cyclopentyloxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide is sourced from PubChem (CID 139021917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).