N-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C18H22N4O3 — CID 109111768

IUPACN-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(N3CCCC3)nn2)cc1OC
InChIInChI=1S/C18H22N4O3/c1-24-15-7-5-13(11-16(15)25-2)12-19-18(23)14-6-8-17(21-20-14)22-9-3-4-10-22/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,19,23)
InChIKeyXXXBIAREZXKFAK-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.02
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 109111768) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID109111768
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(N3CCCC3)nn2)cc1OC
InChIInChI=1S/C18H22N4O3/c1-24-15-7-5-13(11-16(15)25-2)12-19-18(23)14-6-8-17(21-20-14)22-9-3-4-10-22/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,19,23)
InChIKeyXXXBIAREZXKFAK-UHFFFAOYSA-N
XLogP2.02
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109123466
N-[(3,4-dimethoxyphenyl)methyl]-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116505
N-(1,3-benzodioxol-5-ylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 71778537
6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109112480
6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109109847
6-piperidin-1-yl-N-(3,4,5-trimethoxyphenyl)pyridazine-3-carboxamide
CID 109112601
6-(4-acetylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109117087
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109123335
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51143128
N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109123487
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111201127

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 109111768) is N-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is COc1ccc(CNC(=O)c2ccc(N3CCCC3)nn2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is XXXBIAREZXKFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-24-15-7-5-13(11-16(15)25-2)12-19-18(23)14-6-8-17(21-20-14)22-9-3-4-10-22/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,19,23).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109111768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).