N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide

C16H17ClN4O3 — CID 113047900

IUPACN-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
SMILESCOc1ccc(Nc2ccc(NC(=O)C3CCCO3)nn2)cc1Cl
InChIInChI=1S/C16H17ClN4O3/c1-23-12-5-4-10(9-11(12)17)18-14-6-7-15(21-20-14)19-16(22)13-3-2-8-24-13/h4-7,9,13H,2-3,8H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyPMOMKCFORFCNPU-UHFFFAOYSA-N
MW348.79 g/mol
LogP3.00
Rot. Bonds5

About N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide

N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide (PubChem CID 113047900) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
PubChem CID113047900
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC NameN-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
SMILESCOc1ccc(Nc2ccc(NC(=O)C3CCCO3)nn2)cc1Cl
InChIInChI=1S/C16H17ClN4O3/c1-23-12-5-4-10(9-11(12)17)18-14-6-7-15(21-20-14)19-16(22)13-3-2-8-24-13/h4-7,9,13H,2-3,8H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyPMOMKCFORFCNPU-UHFFFAOYSA-N
XLogP3.00
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(3-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113048185
(2S)-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
CID 95280930
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]oxolane-2-carboxamide
CID 113041669
N-(3-tert-butyl-4-methoxyphenyl)oxolane-2-carboxamide
CID 110776693
N-[6-(3,4-dichloroanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113050746
N-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113019484
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113047933
(2R)-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]oxolane-2-carboxamide
CID 26853359
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113048618
2-chloro-4-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 113462421
N-(3-chloro-4-methoxyphenyl)oxane-4-carboxamide
CID 31963649
N-[6-(2-bromo-4-methylanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113050128

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide?
The IUPAC name of N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide (CID 113047900) is N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide is COc1ccc(Nc2ccc(NC(=O)C3CCCO3)nn2)cc1Cl.
What is the InChIKey of N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide?
The InChIKey is PMOMKCFORFCNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c1-23-12-5-4-10(9-11(12)17)18-14-6-7-15(21-20-14)19-16(22)13-3-2-8-24-13/h4-7,9,13H,2-3,8H2,1H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide?
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide has a molecular weight of 348.79 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]oxolane-2-carboxamide is sourced from PubChem (CID 113047900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).