4-[(3-chloro-5-cyano-2-pyridinyl)oxy]-N-(2-hydroxyethyl)-N-methylbenzamide

C16H14ClN3O3 — CID 56792709

IUPAC4-[(3-chloro-5-cyano-2-pyridinyl)oxy]-N-(2-hydroxyethyl)-N-methylbenzamide
SMILESCN(CCO)C(=O)c1ccc(Oc2ncc(C#N)cc2Cl)cc1
InChIInChI=1S/C16H14ClN3O3/c1-20(6-7-21)16(22)12-2-4-13(5-3-12)23-15-14(17)8-11(9-18)10-19-15/h2-5,8,10,21H,6-7H2,1H3
InChIKeyTYOWSRCCSOHHMK-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.46
Rot. Bonds5

About 4-[(3-chloro-5-cyano-2-pyridinyl)oxy]-N-(2-hydroxyethyl)-N-methylbenzamide

4-[(3-chloro-5-cyano-2-pyridinyl)oxy]-N-(2-hydroxyethyl)-N-methylbenzamide (PubChem CID 56792709) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is 4-[(3-chloro-5-cyano-2-pyridinyl)oxy]-N-(2-hydroxyethyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-[(3-chloro-5-cyano-2-pyridinyl)oxy]-N-(2-hydroxyethyl)-N-methylbenzamide
PubChem CID56792709
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Name4-[(3-chloro-5-cyano-2-pyridinyl)oxy]-N-(2-hydroxyethyl)-N-methylbenzamide
SMILESCN(CCO)C(=O)c1ccc(Oc2ncc(C#N)cc2Cl)cc1
InChIInChI=1S/C16H14ClN3O3/c1-20(6-7-21)16(22)12-2-4-13(5-3-12)23-15-14(17)8-11(9-18)10-19-15/h2-5,8,10,21H,6-7H2,1H3
InChIKeyTYOWSRCCSOHHMK-UHFFFAOYSA-N
XLogP2.46
TPSA86.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-chloro-2-pyridinyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 86795441
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 111466308
N-(2-hydroxyethyl)-N-methyl-4-(1,2-oxazol-3-ylmethoxy)benzamide
CID 75374011
4-[(5-bromo-3-chloro-2-pyridinyl)oxy]benzonitrile
CID 103583574
N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methoxy-N-methylbenzamide
CID 71571384
4-[(3-fluorophenyl)methoxy]-N-(2-hydroxyethyl)-N-methylbenzamide
CID 111466311
N-(2-aminoethyl)-4-cyano-N-methylbenzamide
CID 62681129
N-(2-cyanoethyl)-N-methyl-4-propoxybenzamide
CID 8778883
4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 23508555
3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
CID 22458041
5-chloro-6-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 16784776
2-chloro-5-[2-hydroxyethyl(methyl)carbamoyl]benzenesulfinic acid
CID 118965967

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-5-cyano-2-pyridinyl)oxy]-N-(2-hydroxyethyl)-N-methylbenzamide?
The IUPAC name of 4-[(3-chloro-5-cyano-2-pyridinyl)oxy]-N-(2-hydroxyethyl)-N-methylbenzamide (CID 56792709) is 4-[(3-chloro-5-cyano-2-pyridinyl)oxy]-N-(2-hydroxyethyl)-N-methylbenzamide.
What is the SMILES notation for 4-[(3-chloro-5-cyano-2-pyridinyl)oxy]-N-(2-hydroxyethyl)-N-methylbenzamide?
The canonical SMILES for 4-[(3-chloro-5-cyano-2-pyridinyl)oxy]-N-(2-hydroxyethyl)-N-methylbenzamide is CN(CCO)C(=O)c1ccc(Oc2ncc(C#N)cc2Cl)cc1.
What is the InChIKey of 4-[(3-chloro-5-cyano-2-pyridinyl)oxy]-N-(2-hydroxyethyl)-N-methylbenzamide?
The InChIKey is TYOWSRCCSOHHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c1-20(6-7-21)16(22)12-2-4-13(5-3-12)23-15-14(17)8-11(9-18)10-19-15/h2-5,8,10,21H,6-7H2,1H3.
What are the key properties of 4-[(3-chloro-5-cyano-2-pyridinyl)oxy]-N-(2-hydroxyethyl)-N-methylbenzamide?
4-[(3-chloro-5-cyano-2-pyridinyl)oxy]-N-(2-hydroxyethyl)-N-methylbenzamide has a molecular weight of 331.76 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-5-cyano-2-pyridinyl)oxy]-N-(2-hydroxyethyl)-N-methylbenzamide is sourced from PubChem (CID 56792709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).