N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide

C18H20N2O3 — CID 91788825

IUPACN-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC(Cc1ccccc1)C1CC(O)C1)c1ccc(=O)[nH]c1
InChIInChI=1S/C18H20N2O3/c21-15-9-14(10-15)16(8-12-4-2-1-3-5-12)20-18(23)13-6-7-17(22)19-11-13/h1-7,11,14-16,21H,8-10H2,(H,19,22)(H,20,23)
InChIKeyLHHZGJIJXLQTJV-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.49
Rot. Bonds5

About N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide

N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 91788825) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID91788825
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC(Cc1ccccc1)C1CC(O)C1)c1ccc(=O)[nH]c1
InChIInChI=1S/C18H20N2O3/c21-15-9-14(10-15)16(8-12-4-2-1-3-5-12)20-18(23)13-6-7-17(22)19-11-13/h1-7,11,14-16,21H,8-10H2,(H,19,22)(H,20,23)
InChIKeyLHHZGJIJXLQTJV-UHFFFAOYSA-N
XLogP1.49
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 91788825) is N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NC(Cc1ccccc1)C1CC(O)C1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is LHHZGJIJXLQTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-15-9-14(10-15)16(8-12-4-2-1-3-5-12)20-18(23)13-6-7-17(22)19-11-13/h1-7,11,14-16,21H,8-10H2,(H,19,22)(H,20,23).
What are the key properties of N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91788825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).