N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide

C18H21N3O3 — CID 91786219

IUPACN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)NC(Cc1ccncc1)C1CC(O)C1
InChIInChI=1S/C18H21N3O3/c22-15-10-14(11-15)16(9-13-4-6-19-7-5-13)20-17(23)12-21-8-2-1-3-18(21)24/h1-8,14-16,22H,9-12H2,(H,20,23)
InChIKeyPBEMCZSMIZJMAR-UHFFFAOYSA-N
MW327.38 g/mol
LogP0.74
Rot. Bonds6

About N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide

N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 91786219) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID91786219
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)NC(Cc1ccncc1)C1CC(O)C1
InChIInChI=1S/C18H21N3O3/c22-15-10-14(11-15)16(9-13-4-6-19-7-5-13)20-17(23)12-21-8-2-1-3-18(21)24/h1-8,14-16,22H,9-12H2,(H,20,23)
InChIKeyPBEMCZSMIZJMAR-UHFFFAOYSA-N
XLogP0.74
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide (CID 91786219) is N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide is O=C(Cn1ccccc1=O)NC(Cc1ccncc1)C1CC(O)C1.
What is the InChIKey of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is PBEMCZSMIZJMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-15-10-14(11-15)16(9-13-4-6-19-7-5-13)20-17(23)12-21-8-2-1-3-18(21)24/h1-8,14-16,22H,9-12H2,(H,20,23).
What are the key properties of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide?
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 327.38 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 91786219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).