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

C17H21ClN4O — CID 109126163

IUPACN-(4-chlorophenyl)-6-(dipropylamino)pyridazine-3-carboxamide
SMILESCCCN(CCC)c1ccc(C(=O)Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C17H21ClN4O/c1-3-11-22(12-4-2)16-10-9-15(20-21-16)17(23)19-14-7-5-13(18)6-8-14/h5-10H,3-4,11-12H2,1-2H3,(H,19,23)
InChIKeyAYDWCOGBVUCEOV-UHFFFAOYSA-N
MW332.84 g/mol
LogP4.01
Rot. Bonds7

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

N-(4-chlorophenyl)-6-(dipropylamino)pyridazine-3-carboxamide (PubChem CID 109126163) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-(dipropylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-(dipropylamino)pyridazine-3-carboxamide
PubChem CID109126163
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC NameN-(4-chlorophenyl)-6-(dipropylamino)pyridazine-3-carboxamide
SMILESCCCN(CCC)c1ccc(C(=O)Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C17H21ClN4O/c1-3-11-22(12-4-2)16-10-9-15(20-21-16)17(23)19-14-7-5-13(18)6-8-14/h5-10H,3-4,11-12H2,1-2H3,(H,19,23)
InChIKeyAYDWCOGBVUCEOV-UHFFFAOYSA-N
XLogP4.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-6-(dipropylamino)pyridazine-3-carboxamide
CID 109126210
N-(5-chloro-2-methoxyphenyl)-6-(dipropylamino)pyridazine-3-carboxamide
CID 109126166
6-(diethylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109124305
6-(dipropylamino)-N-propylpyridazine-3-carboxamide
CID 109109285
2-(4-chlorophenyl)-N-[6-(dipropylamino)pyridazin-3-yl]acetamide
CID 113045158
6-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109125585
N-[(4-chlorophenyl)methyl]-6-(diethylamino)pyridazine-3-carboxamide
CID 109119900
6-(dipropylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109126173
ethyl 2-[[6-(dipropylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109126207
6-(diethylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109124336
6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119564
2-chloro-N-[6-(dipropylamino)pyridazin-3-yl]-6-fluorobenzamide
CID 113045170

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-(dipropylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-(dipropylamino)pyridazine-3-carboxamide (CID 109126163) is N-(4-chlorophenyl)-6-(dipropylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-(dipropylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-(dipropylamino)pyridazine-3-carboxamide is CCCN(CCC)c1ccc(C(=O)Nc2ccc(Cl)cc2)nn1.
What is the InChIKey of N-(4-chlorophenyl)-6-(dipropylamino)pyridazine-3-carboxamide?
The InChIKey is AYDWCOGBVUCEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-3-11-22(12-4-2)16-10-9-15(20-21-16)17(23)19-14-7-5-13(18)6-8-14/h5-10H,3-4,11-12H2,1-2H3,(H,19,23).
What are the key properties of N-(4-chlorophenyl)-6-(dipropylamino)pyridazine-3-carboxamide?
N-(4-chlorophenyl)-6-(dipropylamino)pyridazine-3-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-(dipropylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109126163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).