N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide

C17H20N4O2 — CID 113048614

IUPACN-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide
SMILESCC(C)Oc1ccccc1Nc1ccc(NC(=O)C2CC2)nn1
InChIInChI=1S/C17H20N4O2/c1-11(2)23-14-6-4-3-5-13(14)18-15-9-10-16(21-20-15)19-17(22)12-7-8-12/h3-6,9-12H,7-8H2,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyVVDVIDYKUWZJBJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.36
Rot. Bonds6

About N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide

N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 113048614) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide
PubChem CID113048614
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide
SMILESCC(C)Oc1ccccc1Nc1ccc(NC(=O)C2CC2)nn1
InChIInChI=1S/C17H20N4O2/c1-11(2)23-14-6-4-3-5-13(14)18-15-9-10-16(21-20-15)19-17(22)12-7-8-12/h3-6,9-12H,7-8H2,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyVVDVIDYKUWZJBJ-UHFFFAOYSA-N
XLogP3.36
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113048618
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048623
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide
CID 113048612
4-methyl-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048626
4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150874
3,4-difluoro-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048646
N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119284707
N-[6-(2-phenoxyanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113050613
N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-propan-2-yloxybenzamide
CID 46761350
1-N-(3-methylbutyl)-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109149770
N-(1-phenylethyl)-6-(2-propan-2-yloxyanilino)pyridazine-3-carboxamide
CID 109118892
N-[6-(2-tert-butylanilino)pyridazin-3-yl]cyclobutanecarboxamide
CID 113047094

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide (CID 113048614) is N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide is CC(C)Oc1ccccc1Nc1ccc(NC(=O)C2CC2)nn1.
What is the InChIKey of N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide?
The InChIKey is VVDVIDYKUWZJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11(2)23-14-6-4-3-5-13(14)18-15-9-10-16(21-20-15)19-17(22)12-7-8-12/h3-6,9-12H,7-8H2,1-2H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide?
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 113048614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).