N-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide

C17H16ClN3O2 — CID 807311

IUPACN-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide
SMILESCOc1ccc(Cl)cc1N(C(C)=O)c1nc(C)cc(C)c1C#N
InChIInChI=1S/C17H16ClN3O2/c1-10-7-11(2)20-17(14(10)9-19)21(12(3)22)15-8-13(18)5-6-16(15)23-4/h5-8H,1-4H3
InChIKeyNEEURBNXMQKAFK-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.92
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide

N-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide (PubChem CID 807311) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide
PubChem CID807311
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide
SMILESCOc1ccc(Cl)cc1N(C(C)=O)c1nc(C)cc(C)c1C#N
InChIInChI=1S/C17H16ClN3O2/c1-10-7-11(2)20-17(14(10)9-19)21(12(3)22)15-8-13(18)5-6-16(15)23-4/h5-8H,1-4H3
InChIKeyNEEURBNXMQKAFK-UHFFFAOYSA-N
XLogP3.92
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide
CID 740893
2-(2,4-dichlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 60699117
N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride
CID 115194462
methyl 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62957492
ethyl N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]carbamate
CID 113060315
2-(3-methoxy-N-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 62002636
methyl 3-cyano-4,6-dimethylpyridine-2-carboxylate
CID 130298670
N-acetyl-N-(3-cyano-4-methoxy-2-pyridinyl)acetamide
CID 170856608
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113128529
[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2-methoxyphenyl] 2,4-dichlorobenzoate
CID 169397804
3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113127763
methyl 2-(N-carbamoyl-5-chloro-2-methoxyanilino)benzoate
CID 139838408

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide (CID 807311) is N-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide is COc1ccc(Cl)cc1N(C(C)=O)c1nc(C)cc(C)c1C#N.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide?
The InChIKey is NEEURBNXMQKAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-10-7-11(2)20-17(14(10)9-19)21(12(3)22)15-8-13(18)5-6-16(15)23-4/h5-8H,1-4H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide?
N-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide has a molecular weight of 329.79 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,6-dimethyl-2-pyridinyl)acetamide is sourced from PubChem (CID 807311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).