N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-methyl-2-oxopyridine-3-carboxamide

C18H20N2O3 — CID 71788746

IUPACN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCC(O)(c2ccccc2)C2CC2)c1=O
InChIInChI=1S/C18H20N2O3/c1-20-11-5-8-15(17(20)22)16(21)19-12-18(23,14-9-10-14)13-6-3-2-4-7-13/h2-8,11,14,23H,9-10,12H2,1H3,(H,19,21)
InChIKeyNNUWTQDMTKQKME-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.41
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-methyl-2-oxopyridine-3-carboxamide

N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 71788746) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID71788746
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCC(O)(c2ccccc2)C2CC2)c1=O
InChIInChI=1S/C18H20N2O3/c1-20-11-5-8-15(17(20)22)16(21)19-12-18(23,14-9-10-14)13-6-3-2-4-7-13/h2-8,11,14,23H,9-10,12H2,1H3,(H,19,21)
InChIKeyNNUWTQDMTKQKME-UHFFFAOYSA-N
XLogP1.41
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-methyl-2-oxopyridine-3-carboxamide (CID 71788746) is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-methyl-2-oxopyridine-3-carboxamide is Cn1cccc(C(=O)NCC(O)(c2ccccc2)C2CC2)c1=O.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is NNUWTQDMTKQKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-20-11-5-8-15(17(20)22)16(21)19-12-18(23,14-9-10-14)13-6-3-2-4-7-13/h2-8,11,14,23H,9-10,12H2,1H3,(H,19,21).
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-methyl-2-oxopyridine-3-carboxamide?
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 71788746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).