N-[6-(4-chloro-2-methylanilino)-3-pyridinyl]pentanamide

C17H20ClN3O — CID 113018819

IUPACN-[6-(4-chloro-2-methylanilino)-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(Nc2ccc(Cl)cc2C)nc1
InChIInChI=1S/C17H20ClN3O/c1-3-4-5-17(22)20-14-7-9-16(19-11-14)21-15-8-6-13(18)10-12(15)2/h6-11H,3-5H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBTPRHXVAMINBDG-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.92
Rot. Bonds6

About N-[6-(4-chloro-2-methylanilino)-3-pyridinyl]pentanamide

N-[6-(4-chloro-2-methylanilino)-3-pyridinyl]pentanamide (PubChem CID 113018819) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[6-(4-chloro-2-methylanilino)-3-pyridinyl]pentanamide.

Molecular Properties

Compound NameN-[6-(4-chloro-2-methylanilino)-3-pyridinyl]pentanamide
PubChem CID113018819
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-[6-(4-chloro-2-methylanilino)-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(Nc2ccc(Cl)cc2C)nc1
InChIInChI=1S/C17H20ClN3O/c1-3-4-5-17(22)20-14-7-9-16(19-11-14)21-15-8-6-13(18)10-12(15)2/h6-11H,3-5H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBTPRHXVAMINBDG-UHFFFAOYSA-N
XLogP4.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide
CID 113022156
N-[6-(2,3-dimethylanilino)-3-pyridinyl]pentanamide
CID 113017248
N-[6-(pentanoylamino)-3-pyridinyl]pentanamide
CID 649725
N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]butanamide
CID 113023033
N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]pentanamide
CID 113032811
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113016782
N-[5-(2-chloroanilino)-2-pyridinyl]pentanamide
CID 113033187
N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide
CID 39193527
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113033580
N-[6-(4-chloro-2-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113018852
5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292823
N-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195856

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chloro-2-methylanilino)-3-pyridinyl]pentanamide?
The IUPAC name of N-[6-(4-chloro-2-methylanilino)-3-pyridinyl]pentanamide (CID 113018819) is N-[6-(4-chloro-2-methylanilino)-3-pyridinyl]pentanamide.
What is the SMILES notation for N-[6-(4-chloro-2-methylanilino)-3-pyridinyl]pentanamide?
The canonical SMILES for N-[6-(4-chloro-2-methylanilino)-3-pyridinyl]pentanamide is CCCCC(=O)Nc1ccc(Nc2ccc(Cl)cc2C)nc1.
What is the InChIKey of N-[6-(4-chloro-2-methylanilino)-3-pyridinyl]pentanamide?
The InChIKey is BTPRHXVAMINBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-3-4-5-17(22)20-14-7-9-16(19-11-14)21-15-8-6-13(18)10-12(15)2/h6-11H,3-5H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[6-(4-chloro-2-methylanilino)-3-pyridinyl]pentanamide?
N-[6-(4-chloro-2-methylanilino)-3-pyridinyl]pentanamide has a molecular weight of 317.82 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chloro-2-methylanilino)-3-pyridinyl]pentanamide is sourced from PubChem (CID 113018819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).