N-[4-(hydroxymethyl)oxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C14H20N2O4 — CID 106297578

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NC2(CO)CCOCC2)c(=O)[nH]1
InChIInChI=1S/C14H20N2O4/c1-9-7-10(2)15-12(18)11(9)13(19)16-14(8-17)3-5-20-6-4-14/h7,17H,3-6,8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyWDDMZLBHDWKQQM-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.26
Rot. Bonds3

About N-[4-(hydroxymethyl)oxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 106297578) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID106297578
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NC2(CO)CCOCC2)c(=O)[nH]1
InChIInChI=1S/C14H20N2O4/c1-9-7-10(2)15-12(18)11(9)13(19)16-14(8-17)3-5-20-6-4-14/h7,17H,3-6,8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyWDDMZLBHDWKQQM-UHFFFAOYSA-N
XLogP0.26
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)cyclohexyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 62521639
N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethylfuran-3-carboxamide
CID 136541245
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide
CID 106297385
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methylbenzamide
CID 106296589
4,6-dimethyl-N-[(3-methyloxetan-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 78957550
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide
CID 103954122
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298371
N-[4-(hydroxymethyl)oxan-4-yl]-4-methyl-1,2-oxazole-5-carboxamide
CID 113435034
N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide
CID 113358062
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 104630413
1-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]pyrrole-2-carboxamide
CID 106297618

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 106297578) is N-[4-(hydroxymethyl)oxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NC2(CO)CCOCC2)c(=O)[nH]1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WDDMZLBHDWKQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-7-10(2)15-12(18)11(9)13(19)16-14(8-17)3-5-20-6-4-14/h7,17H,3-6,8H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 106297578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).