2-(3-carbamoylphenoxy)-1-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2H-pyridine-3-carboxylic acid

C23H24N2O5 — CID 22612230

IUPAC2-(3-carbamoylphenoxy)-1-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2H-pyridine-3-carboxylic acid
SMILESCC(C)(O)c1ccc(CN2C=CC=C(C(=O)O)C2Oc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C23H24N2O5/c1-23(2,29)17-10-8-15(9-11-17)14-25-12-4-7-19(22(27)28)21(25)30-18-6-3-5-16(13-18)20(24)26/h3-13,21,29H,14H2,1-2H3,(H2,24,26)(H,27,28)
InChIKeyBXQCNDMQURHFEZ-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.76
Rot. Bonds7

About 2-(3-carbamoylphenoxy)-1-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2H-pyridine-3-carboxylic acid

2-(3-carbamoylphenoxy)-1-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2H-pyridine-3-carboxylic acid (PubChem CID 22612230) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 2-(3-carbamoylphenoxy)-1-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-carbamoylphenoxy)-1-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2H-pyridine-3-carboxylic acid
PubChem CID22612230
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name2-(3-carbamoylphenoxy)-1-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2H-pyridine-3-carboxylic acid
SMILESCC(C)(O)c1ccc(CN2C=CC=C(C(=O)O)C2Oc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C23H24N2O5/c1-23(2,29)17-10-8-15(9-11-17)14-25-12-4-7-19(22(27)28)21(25)30-18-6-3-5-16(13-18)20(24)26/h3-13,21,29H,14H2,1-2H3,(H2,24,26)(H,27,28)
InChIKeyBXQCNDMQURHFEZ-UHFFFAOYSA-N
XLogP2.76
TPSA113.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330984
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779
3-carbamoylbenzoic acid
CID 3014284
3-cyclopentyloxybenzamide
CID 71932153
3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
3-[(2R,3S)-3-amino-4-oxoazetidin-2-yl]oxybenzoic acid
CID 57171190
3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid
CID 118929960
3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 53283593
3-propoxybenzamide
CID 22311435
3-[4-[(2-oxo-1-pyridinyl)methyl]phenoxy]benzamide
CID 123738994
3-(2-phenylethoxy)benzamide
CID 17135006
3-(oxan-4-yloxy)benzoic acid
CID 23149060

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamoylphenoxy)-1-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2H-pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-carbamoylphenoxy)-1-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2H-pyridine-3-carboxylic acid (CID 22612230) is 2-(3-carbamoylphenoxy)-1-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-carbamoylphenoxy)-1-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-carbamoylphenoxy)-1-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2H-pyridine-3-carboxylic acid is CC(C)(O)c1ccc(CN2C=CC=C(C(=O)O)C2Oc2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 2-(3-carbamoylphenoxy)-1-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2H-pyridine-3-carboxylic acid?
The InChIKey is BXQCNDMQURHFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-23(2,29)17-10-8-15(9-11-17)14-25-12-4-7-19(22(27)28)21(25)30-18-6-3-5-16(13-18)20(24)26/h3-13,21,29H,14H2,1-2H3,(H2,24,26)(H,27,28).
What are the key properties of 2-(3-carbamoylphenoxy)-1-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2H-pyridine-3-carboxylic acid?
2-(3-carbamoylphenoxy)-1-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2H-pyridine-3-carboxylic acid has a molecular weight of 408.45 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamoylphenoxy)-1-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-2H-pyridine-3-carboxylic acid is sourced from PubChem (CID 22612230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).