6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide

C18H22N4O — CID 109124960

IUPAC6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(NC2CCCCCC2)nn1
InChIInChI=1S/C18H22N4O/c23-18(20-15-10-6-3-7-11-15)16-12-13-17(22-21-16)19-14-8-4-1-2-5-9-14/h3,6-7,10-14H,1-2,4-5,8-9H2,(H,19,22)(H,20,23)
InChIKeyUACZWHSAELGNIG-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.86
Rot. Bonds4

About 6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide

6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide (PubChem CID 109124960) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide
PubChem CID109124960
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(NC2CCCCCC2)nn1
InChIInChI=1S/C18H22N4O/c23-18(20-15-10-6-3-7-11-15)16-12-13-17(22-21-16)19-14-8-4-1-2-5-9-14/h3,6-7,10-14H,1-2,4-5,8-9H2,(H,19,22)(H,20,23)
InChIKeyUACZWHSAELGNIG-UHFFFAOYSA-N
XLogP3.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112186
1-[6-(cyclopentylamino)pyridazin-3-yl]-3-phenylurea
CID 113038878
N-cyclohexyl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112809
6-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide
CID 109112976
6-(cyclooctylamino)pyridazine-3-carboxylic acid
CID 60792420
5-(cyclohexylamino)-N-phenylpyridine-2-carboxamide
CID 109183141
6-(cycloheptylamino)-N-cyclopropylpyridazine-3-carboxamide
CID 109110063
6-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide
CID 133313774
N-cyclopentyl-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112077
6-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide
CID 133313672
N-(3-acetamidophenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide
CID 109109935
6-(cycloheptylamino)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121643

Frequently Asked Questions

What is the IUPAC name of 6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide (CID 109124960) is 6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide is O=C(Nc1ccccc1)c1ccc(NC2CCCCCC2)nn1.
What is the InChIKey of 6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide?
The InChIKey is UACZWHSAELGNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(20-15-10-6-3-7-11-15)16-12-13-17(22-21-16)19-14-8-4-1-2-5-9-14/h3,6-7,10-14H,1-2,4-5,8-9H2,(H,19,22)(H,20,23).
What are the key properties of 6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide?
6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 109124960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).