N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-phenylacetamide

C21H20ClN3O — CID 113019049

IUPACN-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
SMILESCc1cc(C)c(Nc2ccc(NC(=O)Cc3ccccc3)cn2)c(Cl)c1
InChIInChI=1S/C21H20ClN3O/c1-14-10-15(2)21(18(22)11-14)25-19-9-8-17(13-23-19)24-20(26)12-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyVRMGJUKFTPBGEH-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.28
Rot. Bonds5

About N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-phenylacetamide

N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-phenylacetamide (PubChem CID 113019049) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
PubChem CID113019049
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC NameN-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
SMILESCc1cc(C)c(Nc2ccc(NC(=O)Cc3ccccc3)cn2)c(Cl)c1
InChIInChI=1S/C21H20ClN3O/c1-14-10-15(2)21(18(22)11-14)25-19-9-8-17(13-23-19)24-20(26)12-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyVRMGJUKFTPBGEH-UHFFFAOYSA-N
XLogP5.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113019042
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
CID 113016876
2-phenoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]acetamide
CID 113017912
N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113018452
N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113022187
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113033730
N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113019057
N-[6-(3-chloroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113018544
2-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]propanamide
CID 113017883
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113016782
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113016779
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide
CID 113012292

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-phenylacetamide (CID 113019049) is N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-phenylacetamide is Cc1cc(C)c(Nc2ccc(NC(=O)Cc3ccccc3)cn2)c(Cl)c1.
What is the InChIKey of N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-phenylacetamide?
The InChIKey is VRMGJUKFTPBGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-14-10-15(2)21(18(22)11-14)25-19-9-8-17(13-23-19)24-20(26)12-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-phenylacetamide?
N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-phenylacetamide has a molecular weight of 365.86 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 113019049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).