3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide

C18H21ClN4O — CID 113044397

IUPAC3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NC2CCCCCC2)nn1)c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN4O/c19-14-7-5-6-13(12-14)18(24)21-17-11-10-16(22-23-17)20-15-8-3-1-2-4-9-15/h5-7,10-12,15H,1-4,8-9H2,(H,20,22)(H,21,23,24)
InChIKeyDMAQPFUZGJJTLR-UHFFFAOYSA-N
MW344.85 g/mol
LogP4.52
Rot. Bonds4

About 3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide

3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide (PubChem CID 113044397) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide
PubChem CID113044397
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NC2CCCCCC2)nn1)c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN4O/c19-14-7-5-6-13(12-14)18(24)21-17-11-10-16(22-23-17)20-15-8-3-1-2-4-9-15/h5-7,10-12,15H,1-4,8-9H2,(H,20,22)(H,21,23,24)
InChIKeyDMAQPFUZGJJTLR-UHFFFAOYSA-N
XLogP4.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide
CID 113044378
N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
CID 113038827
2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
CID 113038860
N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide
CID 113044373
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
N-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide
CID 113044384
6-(cyclohexylamino)-N-(2,4-dichlorophenyl)pyridazine-3-carboxamide
CID 109112961
3-chloro-N-[2-chloro-5-(cyclohexylamino)-4-nitrophenyl]benzamide
CID 50881478
N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112186
3-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
CID 113045045
N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide
CID 109263215
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide (CID 113044397) is 3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide is O=C(Nc1ccc(NC2CCCCCC2)nn1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide?
The InChIKey is DMAQPFUZGJJTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c19-14-7-5-6-13(12-14)18(24)21-17-11-10-16(22-23-17)20-15-8-3-1-2-4-9-15/h5-7,10-12,15H,1-4,8-9H2,(H,20,22)(H,21,23,24).
What are the key properties of 3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide?
3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide has a molecular weight of 344.85 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113044397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).