N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide

C18H19ClN2O3 — CID 56819138

IUPACN-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C18H19ClN2O3/c19-15-4-2-14(3-5-15)18(7-9-24-10-8-18)12-21-17(23)13-1-6-16(22)20-11-13/h1-6,11H,7-10,12H2,(H,20,22)(H,21,23)
InChIKeyUEPYMEKJQNPFDZ-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.51
Rot. Bonds4

About N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide

N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 56819138) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID56819138
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C18H19ClN2O3/c19-15-4-2-14(3-5-15)18(7-9-24-10-8-18)12-21-17(23)13-1-6-16(22)20-11-13/h1-6,11H,7-10,12H2,(H,20,22)(H,21,23)
InChIKeyUEPYMEKJQNPFDZ-UHFFFAOYSA-N
XLogP2.51
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450150
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(6-oxo-1H-pyridin-3-yl)acetamide
CID 122154894
1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide
CID 119749400
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449030
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]buta-2,3-dienamide
CID 176519551
(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303662
5-bromo-2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide
CID 27449067
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 60573422
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide
CID 119749418
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,2-diphenylacetamide
CID 60575805

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 56819138) is N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is UEPYMEKJQNPFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c19-15-4-2-14(3-5-15)18(7-9-24-10-8-18)12-21-17(23)13-1-6-16(22)20-11-13/h1-6,11H,7-10,12H2,(H,20,22)(H,21,23).
What are the key properties of N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 346.81 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56819138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).