N-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide

C20H26N4O3 — CID 113044384

IUPACN-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(NC2CCCCCC2)nn1
InChIInChI=1S/C20H26N4O3/c1-26-15-10-7-11-16(27-2)19(15)20(25)22-18-13-12-17(23-24-18)21-14-8-5-3-4-6-9-14/h7,10-14H,3-6,8-9H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyNYGDQIFHMFGOQJ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.88
Rot. Bonds6

About N-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide

N-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide (PubChem CID 113044384) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide
PubChem CID113044384
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(NC2CCCCCC2)nn1
InChIInChI=1S/C20H26N4O3/c1-26-15-10-7-11-16(27-2)19(15)20(25)22-18-13-12-17(23-24-18)21-14-8-5-3-4-6-9-14/h7,10-14H,3-6,8-9H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyNYGDQIFHMFGOQJ-UHFFFAOYSA-N
XLogP3.88
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113010066
N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
CID 113038827
N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide
CID 113044373
1-[6-(cyclohexylamino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113039134
3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide
CID 113044378
3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide
CID 113044397
2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
CID 113038860
1-[6-(cyclopentylamino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113038888
N-[6-(cyclohexylamino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113010088
N-[6-(cycloheptylamino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113014933
N-(5-chloro-2-methoxyphenyl)-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112915
N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113038853

Frequently Asked Questions

What is the IUPAC name of N-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide (CID 113044384) is N-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1ccc(NC2CCCCCC2)nn1.
What is the InChIKey of N-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide?
The InChIKey is NYGDQIFHMFGOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-26-15-10-7-11-16(27-2)19(15)20(25)22-18-13-12-17(23-24-18)21-14-8-5-3-4-6-9-14/h7,10-14H,3-6,8-9H2,1-2H3,(H,21,23)(H,22,24,25).
What are the key properties of N-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide?
N-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide has a molecular weight of 370.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 113044384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).