N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-phenoxypyridine-3-carboxamide

C18H22N2O3 — CID 111596072

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-6-phenoxypyridine-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C18H22N2O3/c1-4-20(13-18(2,3)22)17(21)14-10-11-16(19-12-14)23-15-8-6-5-7-9-15/h5-12,22H,4,13H2,1-3H3
InChIKeyKTUFXZNARHEMQE-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.11
Rot. Bonds6

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-phenoxypyridine-3-carboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-phenoxypyridine-3-carboxamide (PubChem CID 111596072) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-6-phenoxypyridine-3-carboxamide
PubChem CID111596072
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-6-phenoxypyridine-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C18H22N2O3/c1-4-20(13-18(2,3)22)17(21)14-10-11-16(19-12-14)23-15-8-6-5-7-9-15/h5-12,22H,4,13H2,1-3H3
InChIKeyKTUFXZNARHEMQE-UHFFFAOYSA-N
XLogP3.11
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-N-methyl-6-phenoxypyridine-3-carboxamide
CID 111663059
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-6-phenoxypyridine-3-carboxamide
CID 87002374
N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-pyrrol-1-ylpyridine-3-carboxamide
CID 111970527
N-(2-methoxyethyl)-N-(2-methylpropyl)-6-phenoxypyridine-3-carboxamide
CID 78888942
ethane;1-(6-phenoxy-3-pyridinyl)ethanone
CID 91184231
2-ethyl-2-[[(6-phenoxypyridine-3-carbonyl)amino]methyl]butanoic acid
CID 120533319
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 111859493
N-methyl-6-phenoxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 87002105
N-(2-hydroxy-2-methylpropyl)-6-methoxy-N-methylpyridine-3-carboxamide
CID 79291508
2-[(6-phenoxypyridine-3-carbonyl)amino]acetic acid
CID 163226654
5-chloro-6-ethoxy-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-3-carboxamide
CID 111596458
N-(2-methoxyethyl)-6-phenoxypyridine-3-carboxamide
CID 87000425

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-phenoxypyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-phenoxypyridine-3-carboxamide (CID 111596072) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-phenoxypyridine-3-carboxamide is CCN(CC(C)(C)O)C(=O)c1ccc(Oc2ccccc2)nc1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-phenoxypyridine-3-carboxamide?
The InChIKey is KTUFXZNARHEMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-20(13-18(2,3)22)17(21)14-10-11-16(19-12-14)23-15-8-6-5-7-9-15/h5-12,22H,4,13H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-phenoxypyridine-3-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-phenoxypyridine-3-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 111596072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).