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

C22H18ClN3O3 — CID 172645812

IUPAC2-chloro-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-phenyl-2-pyridinyl]acetamide
SMILESCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(NC(=O)CCl)n2)c(OC)c1
InChIInChI=1S/C22H18ClN3O3/c1-28-15-8-9-16(20(10-15)29-2)19-11-17(14-6-4-3-5-7-14)18(13-24)22(25-19)26-21(27)12-23/h3-11H,12H2,1-2H3,(H,25,26,27)
InChIKeyRSJHBLDIQOBVOH-UHFFFAOYSA-N
MW407.86 g/mol
LogP4.48
Rot. Bonds6

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

2-chloro-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-phenyl-2-pyridinyl]acetamide (PubChem CID 172645812) has the molecular formula C22H18ClN3O3 and a molecular weight of 407.86 g/mol. Its IUPAC name is 2-chloro-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-phenyl-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-phenyl-2-pyridinyl]acetamide
PubChem CID172645812
Molecular FormulaC22H18ClN3O3
Molecular Weight407.86 g/mol
Exact Mass407.10
IUPAC Name2-chloro-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-phenyl-2-pyridinyl]acetamide
SMILESCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(NC(=O)CCl)n2)c(OC)c1
InChIInChI=1S/C22H18ClN3O3/c1-28-15-8-9-16(20(10-15)29-2)19-11-17(14-6-4-3-5-7-14)18(13-24)22(25-19)26-21(27)12-23/h3-11H,12H2,1-2H3,(H,25,26,27)
InChIKeyRSJHBLDIQOBVOH-UHFFFAOYSA-N
XLogP4.48
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-cyano-6-[4-methoxy-2-(methoxymethoxy)phenyl]-4-[3-(propanoylamino)phenyl]-2-pyridinyl]benzamide
CID 173154715
[4-[2-[(2-chloroacetyl)amino]-3-cyano-6-(2-oxochromen-3-yl)-4-pyridinyl]-2-methoxyphenyl] 2-chloroacetate
CID 177434358
[2-[4-[3-[[(2S)-2-amino-1-oxopropan-2-yl]amino]phenyl]-6-benzamido-5-cyano-2-pyridinyl]-5-methoxyphenyl] 2,2,2-trifluoroacetate
CID 91127227
2-(4-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile
CID 3360693
N-(5-chloro-2,4-dimethoxyphenyl)-3-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]propanamide
CID 23917269
2-(2-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile
CID 3966942
4-[6-(2,4-dimethoxyphenyl)-2-phenylpyrimidin-4-yl]benzamide
CID 10621568
N-(3-cyano-8-methoxy-5-phenylquinolin-2-yl)-2-methoxyacetamide
CID 86049109
N-(2-chlorophenyl)-3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]propanamide
CID 23973220
3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-[(2-methoxybenzoyl)amino]-4-pyridinyl]benzoic acid
CID 68957967
N-(5-chloro-2,4-dimethoxyphenyl)-3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]propanamide
CID 23861471
3-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(2,5-dichlorophenyl)propanamide
CID 23746017

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-phenyl-2-pyridinyl]acetamide?
The IUPAC name of 2-chloro-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-phenyl-2-pyridinyl]acetamide (CID 172645812) is 2-chloro-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-phenyl-2-pyridinyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-phenyl-2-pyridinyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-phenyl-2-pyridinyl]acetamide is COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(NC(=O)CCl)n2)c(OC)c1.
What is the InChIKey of 2-chloro-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-phenyl-2-pyridinyl]acetamide?
The InChIKey is RSJHBLDIQOBVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3/c1-28-15-8-9-16(20(10-15)29-2)19-11-17(14-6-4-3-5-7-14)18(13-24)22(25-19)26-21(27)12-23/h3-11H,12H2,1-2H3,(H,25,26,27).
What are the key properties of 2-chloro-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-phenyl-2-pyridinyl]acetamide?
2-chloro-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-phenyl-2-pyridinyl]acetamide has a molecular weight of 407.86 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-cyano-6-(2,4-dimethoxyphenyl)-4-phenyl-2-pyridinyl]acetamide is sourced from PubChem (CID 172645812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).