6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide

C18H22N4O — CID 109112095

IUPAC6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(NC2CCCC2)nn1
InChIInChI=1S/C18H22N4O/c1-13-6-2-3-7-14(13)12-19-18(23)16-10-11-17(22-21-16)20-15-8-4-5-9-15/h2-3,6-7,10-11,15H,4-5,8-9,12H2,1H3,(H,19,23)(H,20,22)
InChIKeyCDFFBRXPEMGTSA-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.07
Rot. Bonds5

About 6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide

6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide (PubChem CID 109112095) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
PubChem CID109112095
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(NC2CCCC2)nn1
InChIInChI=1S/C18H22N4O/c1-13-6-2-3-7-14(13)12-19-18(23)16-10-11-17(22-21-16)20-15-8-4-5-9-15/h2-3,6-7,10-11,15H,4-5,8-9,12H2,1H3,(H,19,23)(H,20,22)
InChIKeyCDFFBRXPEMGTSA-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

5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109279992
6-(cyclohexylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109363787
5-(cyclopropylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109271771
6-hydrazinyl-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 62237451
6-(cyclopentylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109112110
2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109249729
6-(cycloheptylamino)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121643
6-chloro-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 54944461
N-cyclopentyl-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112077
6-(cyclohexylamino)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109112877
6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118178
N-cyclohexyl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112809

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide (CID 109112095) is 6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide is Cc1ccccc1CNC(=O)c1ccc(NC2CCCC2)nn1.
What is the InChIKey of 6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is CDFFBRXPEMGTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-6-2-3-7-14(13)12-19-18(23)16-10-11-17(22-21-16)20-15-8-4-5-9-15/h2-3,6-7,10-11,15H,4-5,8-9,12H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide?
6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]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 6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109112095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).