2-chloro-N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide

C16H14ClN3O2 — CID 714287

IUPAC2-chloro-N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide
SMILESCc1cc(C)c(C#N)c(Oc2cccc(NC(=O)CCl)c2)n1
InChIInChI=1S/C16H14ClN3O2/c1-10-6-11(2)19-16(14(10)9-18)22-13-5-3-4-12(7-13)20-15(21)8-17/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyGOHLFKROPPDHGN-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.54
Rot. Bonds4

About 2-chloro-N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide

2-chloro-N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide (PubChem CID 714287) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 2-chloro-N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide
PubChem CID714287
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name2-chloro-N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide
SMILESCc1cc(C)c(C#N)c(Oc2cccc(NC(=O)CCl)c2)n1
InChIInChI=1S/C16H14ClN3O2/c1-10-6-11(2)19-16(14(10)9-18)22-13-5-3-4-12(7-13)20-15(21)8-17/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyGOHLFKROPPDHGN-UHFFFAOYSA-N
XLogP3.54
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]propanamide
CID 714514
N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]benzamide
CID 714979
2-(2-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 61175739
2-chloro-N-[3-[(2-chloroacetyl)amino]phenyl]acetamide
CID 3742979
2-(3,4-dimethylphenoxy)-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]acetamide
CID 108767054
2-(4-chloro-3-fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 82717285
2-(4-iodophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 61175544
(2R)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)propanamide
CID 40552281
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(3-iodophenyl)acetamide
CID 41432808
2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 33227599
4-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672761
4,6-dimethyl-2-quinolin-8-yloxypyridine-3-carbonitrile
CID 61177447

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide (CID 714287) is 2-chloro-N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide is Cc1cc(C)c(C#N)c(Oc2cccc(NC(=O)CCl)c2)n1.
What is the InChIKey of 2-chloro-N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide?
The InChIKey is GOHLFKROPPDHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-10-6-11(2)19-16(14(10)9-18)22-13-5-3-4-12(7-13)20-15(21)8-17/h3-7H,8H2,1-2H3,(H,20,21).
What are the key properties of 2-chloro-N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide?
2-chloro-N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide has a molecular weight of 315.76 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]phenyl]acetamide is sourced from PubChem (CID 714287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).