2-(hydroxymethyl)-N-[2-(oxan-4-yl)ethyl]pyridine-4-carboxamide

C14H20N2O3 — CID 115116142

IUPAC2-(hydroxymethyl)-N-[2-(oxan-4-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCC1CCOCC1)c1ccnc(CO)c1
InChIInChI=1S/C14H20N2O3/c17-10-13-9-12(2-6-15-13)14(18)16-5-1-11-3-7-19-8-4-11/h2,6,9,11,17H,1,3-5,7-8,10H2,(H,16,18)
InChIKeyHSSMKJIMWGCERA-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.12
Rot. Bonds5

About 2-(hydroxymethyl)-N-[2-(oxan-4-yl)ethyl]pyridine-4-carboxamide

2-(hydroxymethyl)-N-[2-(oxan-4-yl)ethyl]pyridine-4-carboxamide (PubChem CID 115116142) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[2-(oxan-4-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[2-(oxan-4-yl)ethyl]pyridine-4-carboxamide
PubChem CID115116142
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(hydroxymethyl)-N-[2-(oxan-4-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCC1CCOCC1)c1ccnc(CO)c1
InChIInChI=1S/C14H20N2O3/c17-10-13-9-12(2-6-15-13)14(18)16-5-1-11-3-7-19-8-4-11/h2,6,9,11,17H,1,3-5,7-8,10H2,(H,16,18)
InChIKeyHSSMKJIMWGCERA-UHFFFAOYSA-N
XLogP1.12
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[2-(oxan-4-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-[2-(oxan-4-yl)ethyl]pyridine-4-carboxamide (CID 115116142) is 2-(hydroxymethyl)-N-[2-(oxan-4-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[2-(oxan-4-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[2-(oxan-4-yl)ethyl]pyridine-4-carboxamide is O=C(NCCC1CCOCC1)c1ccnc(CO)c1.
What is the InChIKey of 2-(hydroxymethyl)-N-[2-(oxan-4-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is HSSMKJIMWGCERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-10-13-9-12(2-6-15-13)14(18)16-5-1-11-3-7-19-8-4-11/h2,6,9,11,17H,1,3-5,7-8,10H2,(H,16,18).
What are the key properties of 2-(hydroxymethyl)-N-[2-(oxan-4-yl)ethyl]pyridine-4-carboxamide?
2-(hydroxymethyl)-N-[2-(oxan-4-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[2-(oxan-4-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 115116142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).