N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C16H18N4O — CID 109111795

IUPACN-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C16H18N4O/c1-12-6-2-3-7-13(12)17-16(21)14-8-9-15(19-18-14)20-10-4-5-11-20/h2-3,6-9H,4-5,10-11H2,1H3,(H,17,21)
InChIKeyZNVMMAGAECMGOD-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.64
Rot. Bonds3

About N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 109111795) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID109111795
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C16H18N4O/c1-12-6-2-3-7-13(12)17-16(21)14-8-9-15(19-18-14)20-10-4-5-11-20/h2-3,6-9H,4-5,10-11H2,1H3,(H,17,21)
InChIKeyZNVMMAGAECMGOD-UHFFFAOYSA-N
XLogP2.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816
6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109126362
N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111813
N-(2-aminophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119422691
N-(5-amino-2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120568178
N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112555
6-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109126380
6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
CID 109126420
N-(2-phenylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121027928
N-(2-methyl-6-propan-2-ylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112547
6-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
CID 109126367
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 109111795) is N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is Cc1ccccc1NC(=O)c1ccc(N2CCCC2)nn1.
What is the InChIKey of N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is ZNVMMAGAECMGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12-6-2-3-7-13(12)17-16(21)14-8-9-15(19-18-14)20-10-4-5-11-20/h2-3,6-9H,4-5,10-11H2,1H3,(H,17,21).
What are the key properties of N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109111795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).