N-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide

C20H21N5O — CID 109120714

IUPACN-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(NCc3ccccn3)nn2)cc1
InChIInChI=1S/C20H21N5O/c1-14(2)15-6-8-16(9-7-15)23-20(26)18-10-11-19(25-24-18)22-13-17-5-3-4-12-21-17/h3-12,14H,13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyFHWWVFBDAKMJOM-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.86
Rot. Bonds6

About N-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide

N-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109120714) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109120714
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(NCc3ccccn3)nn2)cc1
InChIInChI=1S/C20H21N5O/c1-14(2)15-6-8-16(9-7-15)23-20(26)18-10-11-19(25-24-18)22-13-17-5-3-4-12-21-17/h3-12,14H,13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyFHWWVFBDAKMJOM-UHFFFAOYSA-N
XLogP3.86
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120782
N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120760
6-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109111066
N-(3-fluorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120764
6-methyl-N-(4-propan-2-ylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329667
N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109143
N-(2,4-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120780
N-(5-chloro-2-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120732
6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109114176
N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109110804
N-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120767
4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113041999

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide (CID 109120714) is N-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide is CC(C)c1ccc(NC(=O)c2ccc(NCc3ccccn3)nn2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is FHWWVFBDAKMJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14(2)15-6-8-16(9-7-15)23-20(26)18-10-11-19(25-24-18)22-13-17-5-3-4-12-21-17/h3-12,14H,13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
N-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109120714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).