N-(2-cyanopropyl)-N-ethyl-5-hydroxypyridine-3-carboxamide

C12H15N3O2 — CID 63861022

IUPACN-(2-cyanopropyl)-N-ethyl-5-hydroxypyridine-3-carboxamide
SMILESCCN(CC(C)C#N)C(=O)c1cncc(O)c1
InChIInChI=1S/C12H15N3O2/c1-3-15(8-9(2)5-13)12(17)10-4-11(16)7-14-6-10/h4,6-7,9,16H,3,8H2,1-2H3
InChIKeyIGCYTEHESBXRAO-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.41
Rot. Bonds4

About N-(2-cyanopropyl)-N-ethyl-5-hydroxypyridine-3-carboxamide

N-(2-cyanopropyl)-N-ethyl-5-hydroxypyridine-3-carboxamide (PubChem CID 63861022) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-5-hydroxypyridine-3-carboxamide
PubChem CID63861022
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(2-cyanopropyl)-N-ethyl-5-hydroxypyridine-3-carboxamide
SMILESCCN(CC(C)C#N)C(=O)c1cncc(O)c1
InChIInChI=1S/C12H15N3O2/c1-3-15(8-9(2)5-13)12(17)10-4-11(16)7-14-6-10/h4,6-7,9,16H,3,8H2,1-2H3
InChIKeyIGCYTEHESBXRAO-UHFFFAOYSA-N
XLogP1.41
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanopropyl)-N-ethyl-3,4-dihydroxybenzamide
CID 113358258
N-ethyl-5-hydroxy-N-prop-2-ynylpyridine-3-carboxamide
CID 79725826
N-ethyl-5-hydroxy-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 63850012
5-[[2-cyanopropyl(ethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157995
N-ethyl-5-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide
CID 114263707
N-[3-(diethylamino)propyl]-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 102993953
3-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54979092
4-amino-N-(2-cyanopropyl)-N-ethyl-3-methylbenzamide
CID 54906117
5-hydroxy-N-[(2R)-2-hydroxypropyl]-N-methylpyridine-3-carboxamide
CID 167850128
N-(2-cyanopropyl)-N-ethyl-4-hydrazinylbenzamide
CID 62248085
3-amino-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54906116
6-bromo-N-(2-cyanopropyl)-N-ethylnaphthalene-2-carboxamide
CID 115283254

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-5-hydroxypyridine-3-carboxamide (CID 63861022) is N-(2-cyanopropyl)-N-ethyl-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-5-hydroxypyridine-3-carboxamide is CCN(CC(C)C#N)C(=O)c1cncc(O)c1.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-5-hydroxypyridine-3-carboxamide?
The InChIKey is IGCYTEHESBXRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-15(8-9(2)5-13)12(17)10-4-11(16)7-14-6-10/h4,6-7,9,16H,3,8H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-5-hydroxypyridine-3-carboxamide?
N-(2-cyanopropyl)-N-ethyl-5-hydroxypyridine-3-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 63861022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).