N-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C17H20N4O3 — CID 121027738

IUPACN-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(N3CCCC3)nn2)cc(OC)c1
InChIInChI=1S/C17H20N4O3/c1-23-13-9-12(10-14(11-13)24-2)18-17(22)15-5-6-16(20-19-15)21-7-3-4-8-21/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,22)
InChIKeyWOGGODPWHPHQKT-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.35
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 121027738) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID121027738
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(N3CCCC3)nn2)cc(OC)c1
InChIInChI=1S/C17H20N4O3/c1-23-13-9-12(10-14(11-13)24-2)18-17(22)15-5-6-16(20-19-15)21-7-3-4-8-21/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,22)
InChIKeyWOGGODPWHPHQKT-UHFFFAOYSA-N
XLogP2.35
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-piperidin-1-yl-N-(3,4,5-trimethoxyphenyl)pyridazine-3-carboxamide
CID 109112601
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354
6-amino-N-(3,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 62151472
6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109126365
N-(3,5-dimethoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62173292
N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 71778546
methyl 3-[[6-(azepan-1-yl)pyridazine-3-carbonyl]amino]-4-chlorobenzoate
CID 109126408
N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778476
N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114560
N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816
N-(3,5-dichlorophenyl)-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116280
methyl 3-[(6-piperidin-1-ylpyridazine-3-carbonyl)amino]thiophene-2-carboxylate
CID 121028038

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 121027738) is N-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is COc1cc(NC(=O)c2ccc(N3CCCC3)nn2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is WOGGODPWHPHQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-13-9-12(10-14(11-13)24-2)18-17(22)15-5-6-16(20-19-15)21-7-3-4-8-21/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,22).
What are the key properties of N-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121027738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).