N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylpyridine-4-carboxamide

C17H20N2O3 — CID 154787824

IUPACN-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)(CO)c2ccc(O)cc2)cc(C)n1
InChIInChI=1S/C17H20N2O3/c1-11-8-13(9-12(2)18-11)16(22)19-17(3,10-20)14-4-6-15(21)7-5-14/h4-9,20-21H,10H2,1-3H3,(H,19,22)
InChIKeyQMEABKCQZQYSMV-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.04
Rot. Bonds4

About N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylpyridine-4-carboxamide

N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylpyridine-4-carboxamide (PubChem CID 154787824) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylpyridine-4-carboxamide
PubChem CID154787824
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)(CO)c2ccc(O)cc2)cc(C)n1
InChIInChI=1S/C17H20N2O3/c1-11-8-13(9-12(2)18-11)16(22)19-17(3,10-20)14-4-6-15(21)7-5-14/h4-9,20-21H,10H2,1-3H3,(H,19,22)
InChIKeyQMEABKCQZQYSMV-UHFFFAOYSA-N
XLogP2.04
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]carbamate
CID 70199501
3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105057637
N-[2-(3,4-dimethylphenyl)-1-hydroxypropan-2-yl]-1H-pyrrole-3-carboxamide
CID 154871949
3,5-dihydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944768
N-(1-hydroxy-2-phenylpropan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 105058784
3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide
CID 105058932
2-cyclopropyl-N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]furan-3-carboxamide
CID 126841770
3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105057674
3-bromo-4-chloro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 107989693
N-(1-bromo-2-phenylpropan-2-yl)-3,5-dimethylbenzamide
CID 105059975
N-(1-hydroxy-2-phenylpropan-2-yl)pyridine-2-carboxamide
CID 105059023
N-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 77087853

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylpyridine-4-carboxamide?
The IUPAC name of N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylpyridine-4-carboxamide (CID 154787824) is N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylpyridine-4-carboxamide?
The canonical SMILES for N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylpyridine-4-carboxamide is Cc1cc(C(=O)NC(C)(CO)c2ccc(O)cc2)cc(C)n1.
What is the InChIKey of N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylpyridine-4-carboxamide?
The InChIKey is QMEABKCQZQYSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-8-13(9-12(2)18-11)16(22)19-17(3,10-20)14-4-6-15(21)7-5-14/h4-9,20-21H,10H2,1-3H3,(H,19,22).
What are the key properties of N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylpyridine-4-carboxamide?
N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylpyridine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(4-hydroxyphenyl)propan-2-yl]-2,6-dimethylpyridine-4-carboxamide is sourced from PubChem (CID 154787824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).