N-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide

C16H17Cl2N3O — CID 113022156

IUPACN-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(Nc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C16H17Cl2N3O/c1-2-3-4-16(22)21-12-6-8-15(19-10-12)20-11-5-7-13(17)14(18)9-11/h5-10H,2-4H2,1H3,(H,19,20)(H,21,22)
InChIKeyNWQRZAAUFWHLOJ-UHFFFAOYSA-N
MW338.24 g/mol
LogP5.26
Rot. Bonds6

About N-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide

N-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide (PubChem CID 113022156) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is N-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide.

Molecular Properties

Compound NameN-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide
PubChem CID113022156
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC NameN-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(Nc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C16H17Cl2N3O/c1-2-3-4-16(22)21-12-6-8-15(19-10-12)20-11-5-7-13(17)14(18)9-11/h5-10H,2-4H2,1H3,(H,19,20)(H,21,22)
InChIKeyNWQRZAAUFWHLOJ-UHFFFAOYSA-N
XLogP5.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.24
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(pentanoylamino)-3-pyridinyl]pentanamide
CID 649725
N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]butanamide
CID 113022004
N-[6-(4-chloro-2-methylanilino)-3-pyridinyl]pentanamide
CID 113018819
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]pentanamide
CID 113047763
N-[5-(2-chloroanilino)-2-pyridinyl]pentanamide
CID 113033187
N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113022187
N-[4-(3,4-dichloroanilino)phenyl]butanamide
CID 112989592
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide
CID 113033607
N-[6-(3-methylanilino)-3-pyridinyl]butanamide
CID 113016196
N-[6-(2,3-dimethylanilino)-3-pyridinyl]pentanamide
CID 113017248
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]butanamide
CID 113020075
N-(5-anilino-2-pyridinyl)pentanamide
CID 113031172

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide?
The IUPAC name of N-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide (CID 113022156) is N-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide.
What is the SMILES notation for N-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide?
The canonical SMILES for N-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide is CCCCC(=O)Nc1ccc(Nc2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of N-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide?
The InChIKey is NWQRZAAUFWHLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c1-2-3-4-16(22)21-12-6-8-15(19-10-12)20-11-5-7-13(17)14(18)9-11/h5-10H,2-4H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide?
N-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide has a molecular weight of 338.24 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide is sourced from PubChem (CID 113022156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).