N-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide

C14H20N2O3 — CID 106297411

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2(CO)CCOCC2)c(C)n1
InChIInChI=1S/C14H20N2O3/c1-10-3-4-12(11(2)15-10)13(18)16-14(9-17)5-7-19-8-6-14/h3-4,17H,5-9H2,1-2H3,(H,16,18)
InChIKeyYATHLPYGVLXBIC-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.97
Rot. Bonds3

About N-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 106297411) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide
PubChem CID106297411
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2(CO)CCOCC2)c(C)n1
InChIInChI=1S/C14H20N2O3/c1-10-3-4-12(11(2)15-10)13(18)16-14(9-17)5-7-19-8-6-14/h3-4,17H,5-9H2,1-2H3,(H,16,18)
InChIKeyYATHLPYGVLXBIC-UHFFFAOYSA-N
XLogP0.97
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide
CID 106297509
N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 104630686
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide
CID 106296683
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide
CID 104630465
N-[4-(hydroxymethyl)oxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 104630371
N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 113358039
N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 146088184
2,5-dihydroxy-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106297310
N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzamide
CID 103954290
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide
CID 107091848
2-amino-4-bromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298468
2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide
CID 104630360

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide (CID 106297411) is N-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)NC2(CO)CCOCC2)c(C)n1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is YATHLPYGVLXBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-3-4-12(11(2)15-10)13(18)16-14(9-17)5-7-19-8-6-14/h3-4,17H,5-9H2,1-2H3,(H,16,18).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 106297411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).