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

C17H20N2O3 — CID 111663059

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-6-phenoxypyridine-3-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C17H20N2O3/c1-17(2,21)12-19(3)16(20)13-9-10-15(18-11-13)22-14-7-5-4-6-8-14/h4-11,21H,12H2,1-3H3
InChIKeyDCAFRLQRFSJNJA-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.72
Rot. Bonds5

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

N-(2-hydroxy-2-methylpropyl)-N-methyl-6-phenoxypyridine-3-carboxamide (PubChem CID 111663059) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-6-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-6-phenoxypyridine-3-carboxamide
PubChem CID111663059
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-6-phenoxypyridine-3-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C17H20N2O3/c1-17(2,21)12-19(3)16(20)13-9-10-15(18-11-13)22-14-7-5-4-6-8-14/h4-11,21H,12H2,1-3H3
InChIKeyDCAFRLQRFSJNJA-UHFFFAOYSA-N
XLogP2.72
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-phenoxypyridine-3-carboxamide
CID 111596072
N-(2-hydroxy-2-methylpropyl)-6-methoxy-N-methylpyridine-3-carboxamide
CID 79291508
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-6-phenoxypyridine-3-carboxamide
CID 87002374
N-methyl-6-phenoxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 87002105
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79290970
ethane;1-(6-phenoxy-3-pyridinyl)ethanone
CID 91184231
2-[(6-phenoxypyridine-3-carbonyl)amino]acetic acid
CID 163226654
N-(2-methoxyethyl)-6-phenoxypyridine-3-carboxamide
CID 87000425
N-(2-hydroxypropyl)-6-phenoxypyridine-3-carboxamide
CID 78888027
N-(2-methoxyethyl)-N-(2-methylpropyl)-6-phenoxypyridine-3-carboxamide
CID 78888942
2-ethyl-2-[[(6-phenoxypyridine-3-carbonyl)amino]methyl]butanoic acid
CID 120533319

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-6-phenoxypyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-6-phenoxypyridine-3-carboxamide (CID 111663059) is N-(2-hydroxy-2-methylpropyl)-N-methyl-6-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-6-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-6-phenoxypyridine-3-carboxamide is CN(CC(C)(C)O)C(=O)c1ccc(Oc2ccccc2)nc1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-6-phenoxypyridine-3-carboxamide?
The InChIKey is DCAFRLQRFSJNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-17(2,21)12-19(3)16(20)13-9-10-15(18-11-13)22-14-7-5-4-6-8-14/h4-11,21H,12H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-6-phenoxypyridine-3-carboxamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-6-phenoxypyridine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-6-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 111663059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).