N-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide

C18H22N4O — CID 109112282

IUPACN-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCc1cccc(CNc2ccc(C(=O)NC3CCCC3)nn2)c1
InChIInChI=1S/C18H22N4O/c1-13-5-4-6-14(11-13)12-19-17-10-9-16(21-22-17)18(23)20-15-7-2-3-8-15/h4-6,9-11,15H,2-3,7-8,12H2,1H3,(H,19,22)(H,20,23)
InChIKeySADVFYWXUCWYHZ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.07
Rot. Bonds5

About N-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide

N-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 109112282) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
PubChem CID109112282
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCc1cccc(CNc2ccc(C(=O)NC3CCCC3)nn2)c1
InChIInChI=1S/C18H22N4O/c1-13-5-4-6-14(11-13)12-19-17-10-9-16(21-22-17)18(23)20-15-7-2-3-8-15/h4-6,9-11,15H,2-3,7-8,12H2,1H3,(H,19,22)(H,20,23)
InChIKeySADVFYWXUCWYHZ-UHFFFAOYSA-N
XLogP3.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109341985
N-cycloheptyl-2-methyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368740
N-cyclohexyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109113007
N-cyclopentyl-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109322113
6-[(3-methylphenyl)methylamino]-N-pentylpyridazine-3-carboxamide
CID 109118268
N-cyclopentyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109112291
6-(1,3-benzodioxol-5-ylmethylamino)-N-cyclohexylpyridazine-3-carboxamide
CID 109113004
6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097432
N-cycloheptyl-6-(ethylamino)pyridazine-3-carboxamide
CID 55042572
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide
CID 109112342
6-[(3-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109118240
N-[(4-fluorophenyl)methyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118231

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide (CID 109112282) is N-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide is Cc1cccc(CNc2ccc(C(=O)NC3CCCC3)nn2)c1.
What is the InChIKey of N-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is SADVFYWXUCWYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-5-4-6-14(11-13)12-19-17-10-9-16(21-22-17)18(23)20-15-7-2-3-8-15/h4-6,9-11,15H,2-3,7-8,12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide?
N-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109112282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).