N-(4-cyanophenyl)-6-(dipropylamino)pyridazine-3-carboxamide

C18H21N5O — CID 109126210

IUPACN-(4-cyanophenyl)-6-(dipropylamino)pyridazine-3-carboxamide
SMILESCCCN(CCC)c1ccc(C(=O)Nc2ccc(C#N)cc2)nn1
InChIInChI=1S/C18H21N5O/c1-3-11-23(12-4-2)17-10-9-16(21-22-17)18(24)20-15-7-5-14(13-19)6-8-15/h5-10H,3-4,11-12H2,1-2H3,(H,20,24)
InChIKeyZNOTVTHLWYAQSQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.23
Rot. Bonds7

About N-(4-cyanophenyl)-6-(dipropylamino)pyridazine-3-carboxamide

N-(4-cyanophenyl)-6-(dipropylamino)pyridazine-3-carboxamide (PubChem CID 109126210) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(4-cyanophenyl)-6-(dipropylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-6-(dipropylamino)pyridazine-3-carboxamide
PubChem CID109126210
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-(4-cyanophenyl)-6-(dipropylamino)pyridazine-3-carboxamide
SMILESCCCN(CCC)c1ccc(C(=O)Nc2ccc(C#N)cc2)nn1
InChIInChI=1S/C18H21N5O/c1-3-11-23(12-4-2)17-10-9-16(21-22-17)18(24)20-15-7-5-14(13-19)6-8-15/h5-10H,3-4,11-12H2,1-2H3,(H,20,24)
InChIKeyZNOTVTHLWYAQSQ-UHFFFAOYSA-N
XLogP3.23
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-6-(dipropylamino)pyridazine-3-carboxamide
CID 109126163
N-(4-cyanophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109334197
N-(4-cyanophenyl)-2-(dipropylamino)pyrimidine-5-carboxamide
CID 109264744
6-(dipropylamino)-N-propylpyridazine-3-carboxamide
CID 109109285
6-(butan-2-ylamino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109111531
N-(4-cyanophenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115946
N-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110375
6-(diethylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109124305
N-(5-chloro-2-methoxyphenyl)-6-(dipropylamino)pyridazine-3-carboxamide
CID 109126166
6-(dipropylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109126173
N-(4-cyanophenyl)-6-phenylpyridazine-3-carboxamide
CID 113200694
N-(4-cyanophenyl)-6-cyclopropylpyridazine-3-carboxamide
CID 113200315

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-6-(dipropylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-6-(dipropylamino)pyridazine-3-carboxamide (CID 109126210) is N-(4-cyanophenyl)-6-(dipropylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-6-(dipropylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-6-(dipropylamino)pyridazine-3-carboxamide is CCCN(CCC)c1ccc(C(=O)Nc2ccc(C#N)cc2)nn1.
What is the InChIKey of N-(4-cyanophenyl)-6-(dipropylamino)pyridazine-3-carboxamide?
The InChIKey is ZNOTVTHLWYAQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-11-23(12-4-2)17-10-9-16(21-22-17)18(24)20-15-7-5-14(13-19)6-8-15/h5-10H,3-4,11-12H2,1-2H3,(H,20,24).
What are the key properties of N-(4-cyanophenyl)-6-(dipropylamino)pyridazine-3-carboxamide?
N-(4-cyanophenyl)-6-(dipropylamino)pyridazine-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-6-(dipropylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109126210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).