N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide

C20H26N4O — CID 109119083

IUPACN-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(NC2CCCCCC2)nn1
InChIInChI=1S/C20H26N4O/c1-24(15-16-9-5-4-6-10-16)20(25)18-13-14-19(23-22-18)21-17-11-7-2-3-8-12-17/h4-6,9-10,13-14,17H,2-3,7-8,11-12,15H2,1H3,(H,21,23)
InChIKeySIYLFIZGWSZWRO-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.88
Rot. Bonds5

About N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide

N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide (PubChem CID 109119083) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide
PubChem CID109119083
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(NC2CCCCCC2)nn1
InChIInChI=1S/C20H26N4O/c1-24(15-16-9-5-4-6-10-16)20(25)18-13-14-19(23-22-18)21-17-11-7-2-3-8-12-17/h4-6,9-10,13-14,17H,2-3,7-8,11-12,15H2,1H3,(H,21,23)
InChIKeySIYLFIZGWSZWRO-UHFFFAOYSA-N
XLogP3.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-6-(cyclohexylamino)-N-methylpyridazine-3-carboxamide
CID 109112879
6-(cycloheptylamino)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121643
6-(cyclopentylamino)-N,N-diethylpyridazine-3-carboxamide
CID 109112142
N-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109118695
6-(cyclohexylamino)-N,N-dipropylpyridazine-3-carboxamide
CID 109112883
6-(cyclooctylamino)pyridazine-3-carboxylic acid
CID 60792420
N-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide
CID 109119106
N-benzyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109119056
N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide
CID 109119112
N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118463
6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide
CID 109124960
N-benzyl-4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-methylbenzamide
CID 53108650

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide (CID 109119083) is N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc(NC2CCCCCC2)nn1.
What is the InChIKey of N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide?
The InChIKey is SIYLFIZGWSZWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-24(15-16-9-5-4-6-10-16)20(25)18-13-14-19(23-22-18)21-17-11-7-2-3-8-12-17/h4-6,9-10,13-14,17H,2-3,7-8,11-12,15H2,1H3,(H,21,23).
What are the key properties of N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide?
N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 109119083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).