6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide

C17H20N4O3 — CID 109109847

IUPAC6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(NC3CC3)nn2)cc1OC
InChIInChI=1S/C17H20N4O3/c1-23-14-7-3-11(9-15(14)24-2)10-18-17(22)13-6-8-16(21-20-13)19-12-4-5-12/h3,6-9,12H,4-5,10H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyVAGVJTFUPOWOHM-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.00
Rot. Bonds7

About 6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide

6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide (PubChem CID 109109847) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
PubChem CID109109847
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(NC3CC3)nn2)cc1OC
InChIInChI=1S/C17H20N4O3/c1-23-14-7-3-11(9-15(14)24-2)10-18-17(22)13-6-8-16(21-20-13)19-12-4-5-12/h3,6-9,12H,4-5,10H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyVAGVJTFUPOWOHM-UHFFFAOYSA-N
XLogP2.00
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109180086
N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109123460
6-(cyclohexylamino)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109363819
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109123487
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109121525
N-[(3,4-dimethoxyphenyl)methyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109123473
2-(cyclopentylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109297894
N-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111768
N-(5-chloro-2-methoxyphenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide
CID 109109916
6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109123466
6-(cyclopropylamino)-N-propylpyridazine-3-carboxamide
CID 109109200
6-(cyclopentylamino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109112110

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide (CID 109109847) is 6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide is COc1ccc(CNC(=O)c2ccc(NC3CC3)nn2)cc1OC.
What is the InChIKey of 6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is VAGVJTFUPOWOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-14-7-3-11(9-15(14)24-2)10-18-17(22)13-6-8-16(21-20-13)19-12-4-5-12/h3,6-9,12H,4-5,10H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide?
6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109109847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).