6-(3-cyanoanilino)-N,N-dipropylpyridazine-3-carboxamide

C18H21N5O — CID 109126285

IUPAC6-(3-cyanoanilino)-N,N-dipropylpyridazine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(Nc2cccc(C#N)c2)nn1
InChIInChI=1S/C18H21N5O/c1-3-10-23(11-4-2)18(24)16-8-9-17(22-21-16)20-15-7-5-6-14(12-15)13-19/h5-9,12H,3-4,10-11H2,1-2H3,(H,20,22)
InChIKeyUAXWENQQBSNLFD-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.35
Rot. Bonds7

About 6-(3-cyanoanilino)-N,N-dipropylpyridazine-3-carboxamide

6-(3-cyanoanilino)-N,N-dipropylpyridazine-3-carboxamide (PubChem CID 109126285) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-(3-cyanoanilino)-N,N-dipropylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-cyanoanilino)-N,N-dipropylpyridazine-3-carboxamide
PubChem CID109126285
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name6-(3-cyanoanilino)-N,N-dipropylpyridazine-3-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(Nc2cccc(C#N)c2)nn1
InChIInChI=1S/C18H21N5O/c1-3-10-23(11-4-2)18(24)16-8-9-17(22-21-16)20-15-7-5-6-14(12-15)13-19/h5-9,12H,3-4,10-11H2,1-2H3,(H,20,22)
InChIKeyUAXWENQQBSNLFD-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[6-(dipropylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109126263
2-(3-cyanoanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109334286
N-benzyl-6-(3-cyanoanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109125140
6-(3,4-dimethoxyanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126254
6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109130370
N-(3-cyanophenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127987
3-[[6-(4-acetylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile
CID 109117337
6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124484
6-[4-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide
CID 109126267
6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128566
6-(2-ethylanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126232
6-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122198

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanoanilino)-N,N-dipropylpyridazine-3-carboxamide?
The IUPAC name of 6-(3-cyanoanilino)-N,N-dipropylpyridazine-3-carboxamide (CID 109126285) is 6-(3-cyanoanilino)-N,N-dipropylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-cyanoanilino)-N,N-dipropylpyridazine-3-carboxamide?
The canonical SMILES for 6-(3-cyanoanilino)-N,N-dipropylpyridazine-3-carboxamide is CCCN(CCC)C(=O)c1ccc(Nc2cccc(C#N)c2)nn1.
What is the InChIKey of 6-(3-cyanoanilino)-N,N-dipropylpyridazine-3-carboxamide?
The InChIKey is UAXWENQQBSNLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-10-23(11-4-2)18(24)16-8-9-17(22-21-16)20-15-7-5-6-14(12-15)13-19/h5-9,12H,3-4,10-11H2,1-2H3,(H,20,22).
What are the key properties of 6-(3-cyanoanilino)-N,N-dipropylpyridazine-3-carboxamide?
6-(3-cyanoanilino)-N,N-dipropylpyridazine-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanoanilino)-N,N-dipropylpyridazine-3-carboxamide is sourced from PubChem (CID 109126285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).