N-(2-cyclopropyl-2-hydroxyethyl)-5-hydroxypyridine-3-carboxamide

C11H14N2O3 — CID 63851883

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-5-hydroxypyridine-3-carboxamide
SMILESO=C(NCC(O)C1CC1)c1cncc(O)c1
InChIInChI=1S/C11H14N2O3/c14-9-3-8(4-12-5-9)11(16)13-6-10(15)7-1-2-7/h3-5,7,10,14-15H,1-2,6H2,(H,13,16)
InChIKeyWQLOSQKXADDRDV-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.29
Rot. Bonds4

About N-(2-cyclopropyl-2-hydroxyethyl)-5-hydroxypyridine-3-carboxamide

N-(2-cyclopropyl-2-hydroxyethyl)-5-hydroxypyridine-3-carboxamide (PubChem CID 63851883) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-5-hydroxypyridine-3-carboxamide
PubChem CID63851883
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-5-hydroxypyridine-3-carboxamide
SMILESO=C(NCC(O)C1CC1)c1cncc(O)c1
InChIInChI=1S/C11H14N2O3/c14-9-3-8(4-12-5-9)11(16)13-6-10(15)7-1-2-7/h3-5,7,10,14-15H,1-2,6H2,(H,13,16)
InChIKeyWQLOSQKXADDRDV-UHFFFAOYSA-N
XLogP0.29
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-5-hydroxypyridine-3-carboxamide (CID 63851883) is N-(2-cyclopropyl-2-hydroxyethyl)-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-5-hydroxypyridine-3-carboxamide is O=C(NCC(O)C1CC1)c1cncc(O)c1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-5-hydroxypyridine-3-carboxamide?
The InChIKey is WQLOSQKXADDRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-9-3-8(4-12-5-9)11(16)13-6-10(15)7-1-2-7/h3-5,7,10,14-15H,1-2,6H2,(H,13,16).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-5-hydroxypyridine-3-carboxamide?
N-(2-cyclopropyl-2-hydroxyethyl)-5-hydroxypyridine-3-carboxamide has a molecular weight of 222.24 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 63851883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).