6-(butan-2-ylamino)-N-(4-cyanophenyl)pyridazine-3-carboxamide

C16H17N5O — CID 109111531

IUPAC6-(butan-2-ylamino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)Nc2ccc(C#N)cc2)nn1
InChIInChI=1S/C16H17N5O/c1-3-11(2)18-15-9-8-14(20-21-15)16(22)19-13-6-4-12(10-17)5-7-13/h4-9,11H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyXIMCZAZCOQSSSD-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.81
Rot. Bonds5

About 6-(butan-2-ylamino)-N-(4-cyanophenyl)pyridazine-3-carboxamide

6-(butan-2-ylamino)-N-(4-cyanophenyl)pyridazine-3-carboxamide (PubChem CID 109111531) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-(butan-2-ylamino)-N-(4-cyanophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(butan-2-ylamino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
PubChem CID109111531
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name6-(butan-2-ylamino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)Nc2ccc(C#N)cc2)nn1
InChIInChI=1S/C16H17N5O/c1-3-11(2)18-15-9-8-14(20-21-15)16(22)19-13-6-4-12(10-17)5-7-13/h4-9,11H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyXIMCZAZCOQSSSD-UHFFFAOYSA-N
XLogP2.81
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-6-(butan-2-ylamino)pyridazine-3-carboxamide
CID 109111487
6-(butan-2-ylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide
CID 109111535
N-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110375
N-(4-cyanophenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115946
N-(4-cyanophenyl)-6-(dipropylamino)pyridazine-3-carboxamide
CID 109126210
6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109130370
6-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109119717
N-(4-cyanophenyl)-6-phenylpyridazine-3-carboxamide
CID 113200694
6-(1-methoxypropan-2-ylamino)-N-phenylpyridazine-3-carboxamide
CID 133313240
N-(4-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128394
N-(4-cyanophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109130101
N-(4-cyanophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122261

Frequently Asked Questions

What is the IUPAC name of 6-(butan-2-ylamino)-N-(4-cyanophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(butan-2-ylamino)-N-(4-cyanophenyl)pyridazine-3-carboxamide (CID 109111531) is 6-(butan-2-ylamino)-N-(4-cyanophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(butan-2-ylamino)-N-(4-cyanophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(butan-2-ylamino)-N-(4-cyanophenyl)pyridazine-3-carboxamide is CCC(C)Nc1ccc(C(=O)Nc2ccc(C#N)cc2)nn1.
What is the InChIKey of 6-(butan-2-ylamino)-N-(4-cyanophenyl)pyridazine-3-carboxamide?
The InChIKey is XIMCZAZCOQSSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-3-11(2)18-15-9-8-14(20-21-15)16(22)19-13-6-4-12(10-17)5-7-13/h4-9,11H,3H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 6-(butan-2-ylamino)-N-(4-cyanophenyl)pyridazine-3-carboxamide?
6-(butan-2-ylamino)-N-(4-cyanophenyl)pyridazine-3-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butan-2-ylamino)-N-(4-cyanophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109111531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).