N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide

C12H16N2O3 — CID 71788621

IUPACN-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(O)CCOCC1)c1ccccn1
InChIInChI=1S/C12H16N2O3/c15-11(10-3-1-2-6-13-10)14-9-12(16)4-7-17-8-5-12/h1-3,6,16H,4-5,7-9H2,(H,14,15)
InChIKeyODDCBPPTLMGEMD-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.35
Rot. Bonds3

About N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide

N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 71788621) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide
PubChem CID71788621
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(O)CCOCC1)c1ccccn1
InChIInChI=1S/C12H16N2O3/c15-11(10-3-1-2-6-13-10)14-9-12(16)4-7-17-8-5-12/h1-3,6,16H,4-5,7-9H2,(H,14,15)
InChIKeyODDCBPPTLMGEMD-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide (CID 71788621) is N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide is O=C(NCC1(O)CCOCC1)c1ccccn1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is ODDCBPPTLMGEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-11(10-3-1-2-6-13-10)14-9-12(16)4-7-17-8-5-12/h1-3,6,16H,4-5,7-9H2,(H,14,15).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide?
N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-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-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 71788621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).