N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide

C12H16N2O3 — CID 113358039

IUPACN-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1ccncc1
InChIInChI=1S/C12H16N2O3/c15-9-12(3-7-17-8-4-12)14-11(16)10-1-5-13-6-2-10/h1-2,5-6,15H,3-4,7-9H2,(H,14,16)
InChIKeyTZQGKIQZMISOQV-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.35
Rot. Bonds3

About N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide (PubChem CID 113358039) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
PubChem CID113358039
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1ccncc1
InChIInChI=1S/C12H16N2O3/c15-9-12(3-7-17-8-4-12)14-11(16)10-1-5-13-6-2-10/h1-2,5-6,15H,3-4,7-9H2,(H,14,16)
InChIKeyTZQGKIQZMISOQV-UHFFFAOYSA-N
XLogP0.35
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 103954232
4-(2-aminoethyl)-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298903
3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 104630413
N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
CID 103954237
N-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 103954215
N-[4-(hydroxymethyl)oxan-4-yl]-1H-imidazole-5-carboxamide
CID 104630663
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide
CID 107091848
4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide
CID 104630550
2-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-carboxamide
CID 104630360
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298371
N-[4-(hydroxymethyl)oxan-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 104630371
N-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103954059

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide (CID 113358039) is N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide is O=C(NC1(CO)CCOCC1)c1ccncc1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide?
The InChIKey is TZQGKIQZMISOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-9-12(3-7-17-8-4-12)14-11(16)10-1-5-13-6-2-10/h1-2,5-6,15H,3-4,7-9H2,(H,14,16).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.35, 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]pyridine-4-carboxamide is sourced from PubChem (CID 113358039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).