N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]pentanamide

C16H19ClN4O — CID 113047763

IUPACN-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc(Nc2ccc(C)c(Cl)c2)nn1
InChIInChI=1S/C16H19ClN4O/c1-3-4-5-16(22)19-15-9-8-14(20-21-15)18-12-7-6-11(2)13(17)10-12/h6-10H,3-5H2,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyHYAZVYLTQWNKMM-UHFFFAOYSA-N
MW318.81 g/mol
LogP4.31
Rot. Bonds6

About N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]pentanamide

N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]pentanamide (PubChem CID 113047763) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]pentanamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]pentanamide
PubChem CID113047763
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]pentanamide
SMILESCCCCC(=O)Nc1ccc(Nc2ccc(C)c(Cl)c2)nn1
InChIInChI=1S/C16H19ClN4O/c1-3-4-5-16(22)19-15-9-8-14(20-21-15)18-12-7-6-11(2)13(17)10-12/h6-10H,3-5H2,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyHYAZVYLTQWNKMM-UHFFFAOYSA-N
XLogP4.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide
CID 113047760
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide
CID 113033607
N-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide
CID 113022156
N-butyl-6-(3-chloro-4-methylanilino)-N-methylpyridazine-3-carboxamide
CID 109125701
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-2-phenoxyacetamide
CID 113047782
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
6-(3-chloro-4-methylanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124442
N-[6-(3-methoxyanilino)pyridazin-3-yl]pentanamide
CID 113048182
N-[6-(2,3-dichloroanilino)pyridazin-3-yl]pentanamide
CID 113050912
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047768
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide
CID 113047767
N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide
CID 113049268

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]pentanamide?
The IUPAC name of N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]pentanamide (CID 113047763) is N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]pentanamide.
What is the SMILES notation for N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]pentanamide?
The canonical SMILES for N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]pentanamide is CCCCC(=O)Nc1ccc(Nc2ccc(C)c(Cl)c2)nn1.
What is the InChIKey of N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]pentanamide?
The InChIKey is HYAZVYLTQWNKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-3-4-5-16(22)19-15-9-8-14(20-21-15)18-12-7-6-11(2)13(17)10-12/h6-10H,3-5H2,1-2H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]pentanamide?
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]pentanamide has a molecular weight of 318.81 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]pentanamide is sourced from PubChem (CID 113047763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).