N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3-methylbutanamide

C16H19ClN4O2 — CID 113047956

IUPACN-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3-methylbutanamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(NC(=O)CC(C)C)nn1
InChIInChI=1S/C16H19ClN4O2/c1-10(2)8-16(22)19-15-7-6-14(20-21-15)18-12-9-11(17)4-5-13(12)23-3/h4-7,9-10H,8H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyAAFBKDPDZPGKQY-UHFFFAOYSA-N
MW334.81 g/mol
LogP3.87
Rot. Bonds6

About N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3-methylbutanamide

N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3-methylbutanamide (PubChem CID 113047956) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3-methylbutanamide
PubChem CID113047956
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC NameN-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3-methylbutanamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(NC(=O)CC(C)C)nn1
InChIInChI=1S/C16H19ClN4O2/c1-10(2)8-16(22)19-15-7-6-14(20-21-15)18-12-9-11(17)4-5-13(12)23-3/h4-7,9-10H,8H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyAAFBKDPDZPGKQY-UHFFFAOYSA-N
XLogP3.87
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113047959
6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111275
2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide
CID 113048759
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide
CID 113047986
(3S)-N-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide
CID 8722030
N-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide
CID 109129093
6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114375
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113048581
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]acetamide
CID 113048531
1-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113033853
N-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide
CID 109119122
N-[6-(5-chloro-2-methylanilino)pyridazin-3-yl]-2-methylpropanamide
CID 113047657

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3-methylbutanamide?
The IUPAC name of N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3-methylbutanamide (CID 113047956) is N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3-methylbutanamide is COc1ccc(Cl)cc1Nc1ccc(NC(=O)CC(C)C)nn1.
What is the InChIKey of N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3-methylbutanamide?
The InChIKey is AAFBKDPDZPGKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-10(2)8-16(22)19-15-7-6-14(20-21-15)18-12-9-11(17)4-5-13(12)23-3/h4-7,9-10H,8H2,1-3H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3-methylbutanamide?
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3-methylbutanamide has a molecular weight of 334.81 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3-methylbutanamide is sourced from PubChem (CID 113047956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).