N-(1-methylcyclobutyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide

C23H28N2O2 — CID 110082879

IUPACN-(1-methylcyclobutyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
SMILESCC1(NC(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)CCC1
InChIInChI=1S/C23H28N2O2/c1-22(9-3-10-22)25-21(26)23(11-14-27-15-12-23)16-18-5-7-19(8-6-18)20-4-2-13-24-17-20/h2,4-8,13,17H,3,9-12,14-16H2,1H3,(H,25,26)
InChIKeyBGRKFONAGGKVNF-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.15
Rot. Bonds5

About N-(1-methylcyclobutyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide

N-(1-methylcyclobutyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide (PubChem CID 110082879) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(1-methylcyclobutyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylcyclobutyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
PubChem CID110082879
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-(1-methylcyclobutyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
SMILESCC1(NC(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)CCC1
InChIInChI=1S/C23H28N2O2/c1-22(9-3-10-22)25-21(26)23(11-14-27-15-12-23)16-18-5-7-19(8-6-18)20-4-2-13-24-17-20/h2,4-8,13,17H,3,9-12,14-16H2,1H3,(H,25,26)
InChIKeyBGRKFONAGGKVNF-UHFFFAOYSA-N
XLogP4.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-1,1-dioxothiolan-3-yl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 110082869
N-(1-hydroxypropan-2-yl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 110082863
N-(2-hydroxyethyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 110082855
N-(oxolan-2-ylmethyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 110082846
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 125011131
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 124977494
N-(2-hydroxypropyl)-4-[(3-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 110083112
N-[(2R)-1-methoxypropan-2-yl]-4-[(3-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 124952155
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-[(3-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 124958697
N-(2-phenylethyl)-4-[(3-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 129455017
N-[(2S)-1-hydroxybutan-2-yl]-4-[(3-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 125010649
N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-4-[(3-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide
CID 110083127

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclobutyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide?
The IUPAC name of N-(1-methylcyclobutyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide (CID 110082879) is N-(1-methylcyclobutyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-(1-methylcyclobutyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide?
The canonical SMILES for N-(1-methylcyclobutyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide is CC1(NC(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)CCC1.
What is the InChIKey of N-(1-methylcyclobutyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide?
The InChIKey is BGRKFONAGGKVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-22(9-3-10-22)25-21(26)23(11-14-27-15-12-23)16-18-5-7-19(8-6-18)20-4-2-13-24-17-20/h2,4-8,13,17H,3,9-12,14-16H2,1H3,(H,25,26).
What are the key properties of N-(1-methylcyclobutyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide?
N-(1-methylcyclobutyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclobutyl)-4-[(4-pyridin-3-ylphenyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 110082879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).