N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-2,2-dimethylpropanamide

C17H20ClN3O — CID 113033448

IUPACN-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCc1c(Cl)cccc1Nc1ccc(NC(=O)C(C)(C)C)nc1
InChIInChI=1S/C17H20ClN3O/c1-11-13(18)6-5-7-14(11)20-12-8-9-15(19-10-12)21-16(22)17(2,3)4/h5-10,20H,1-4H3,(H,19,21,22)
InChIKeyHWPHRNFOKPJBBX-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.77
Rot. Bonds3

About N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-2,2-dimethylpropanamide

N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 113033448) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID113033448
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCc1c(Cl)cccc1Nc1ccc(NC(=O)C(C)(C)C)nc1
InChIInChI=1S/C17H20ClN3O/c1-11-13(18)6-5-7-14(11)20-12-8-9-15(19-10-12)21-16(22)17(2,3)4/h5-10,20H,1-4H3,(H,19,21,22)
InChIKeyHWPHRNFOKPJBBX-UHFFFAOYSA-N
XLogP4.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2,6-difluoroanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113037485
4-chloro-N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]benzamide
CID 113018706
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113018688
N-[5-(2-chloroanilino)-2-pyridinyl]propanamide
CID 113033183
N-(4-acetylphenyl)-6-(3-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109163537
N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113033492
methyl 4-[[6-(2,2-dimethylpropanoylamino)-3-pyridinyl]amino]benzoate
CID 113035380
1-[5-(2,3-dichloroanilino)-2-pyridinyl]-3-phenylurea
CID 113036867
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113018700
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113034682
N-[5-(benzylamino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113026364
N-(3-chloro-2-methylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 55042917

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-2,2-dimethylpropanamide (CID 113033448) is N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-2,2-dimethylpropanamide is Cc1c(Cl)cccc1Nc1ccc(NC(=O)C(C)(C)C)nc1.
What is the InChIKey of N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is HWPHRNFOKPJBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-11-13(18)6-5-7-14(11)20-12-8-9-15(19-10-12)21-16(22)17(2,3)4/h5-10,20H,1-4H3,(H,19,21,22).
What are the key properties of N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-2,2-dimethylpropanamide?
N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 317.82 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113033448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).