6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide

C16H20N4O2 — CID 109109629

IUPAC6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)NC(C)C)nn2)cc1
InChIInChI=1S/C16H20N4O2/c1-11(2)18-16(21)14-8-9-15(20-19-14)17-10-12-4-6-13(22-3)7-5-12/h4-9,11H,10H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyBWCCCWWPOYDDON-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.24
Rot. Bonds6

About 6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide

6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide (PubChem CID 109109629) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide
PubChem CID109109629
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)NC(C)C)nn2)cc1
InChIInChI=1S/C16H20N4O2/c1-11(2)18-16(21)14-8-9-15(20-19-14)17-10-12-4-6-13(22-3)7-5-12/h4-9,11H,10H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyBWCCCWWPOYDDON-UHFFFAOYSA-N
XLogP2.24
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109112291
N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120236
N-[2-(dimethylamino)ethyl]-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109115345
N-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120232
[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112649
N-(3-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120235
N-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109109633
4-methoxy-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041761
6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109120160
N-(2-methoxy-5-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120227
N-[(4-methoxyphenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114105
N-[(4-methoxyphenyl)methyl]-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120257

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of 6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide (CID 109109629) is 6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide is COc1ccc(CNc2ccc(C(=O)NC(C)C)nn2)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is BWCCCWWPOYDDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11(2)18-16(21)14-8-9-15(20-19-14)17-10-12-4-6-13(22-3)7-5-12/h4-9,11H,10H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide?
6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109109629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).