2-cyclopentyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide

C18H26N2O3 — CID 91772366

IUPAC2-cyclopentyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
SMILESCOc1ccc(C(NC(=O)CC2CCCC2)C2CC(O)C2)cn1
InChIInChI=1S/C18H26N2O3/c1-23-17-7-6-13(11-19-17)18(14-9-15(21)10-14)20-16(22)8-12-4-2-3-5-12/h6-7,11-12,14-15,18,21H,2-5,8-10H2,1H3,(H,20,22)
InChIKeyBIVRHWQDEOXTAR-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.60
Rot. Bonds6

About 2-cyclopentyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide

2-cyclopentyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide (PubChem CID 91772366) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
PubChem CID91772366
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-cyclopentyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
SMILESCOc1ccc(C(NC(=O)CC2CCCC2)C2CC(O)C2)cn1
InChIInChI=1S/C18H26N2O3/c1-23-17-7-6-13(11-19-17)18(14-9-15(21)10-14)20-16(22)8-12-4-2-3-5-12/h6-7,11-12,14-15,18,21H,2-5,8-10H2,1H3,(H,20,22)
InChIKeyBIVRHWQDEOXTAR-UHFFFAOYSA-N
XLogP2.60
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide (CID 91772366) is 2-cyclopentyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide is COc1ccc(C(NC(=O)CC2CCCC2)C2CC(O)C2)cn1.
What is the InChIKey of 2-cyclopentyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide?
The InChIKey is BIVRHWQDEOXTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-23-17-7-6-13(11-19-17)18(14-9-15(21)10-14)20-16(22)8-12-4-2-3-5-12/h6-7,11-12,14-15,18,21H,2-5,8-10H2,1H3,(H,20,22).
What are the key properties of 2-cyclopentyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide?
2-cyclopentyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 91772366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).