N-butyl-6-(4-cyanoanilino)pyridazine-3-carboxamide

C16H17N5O — CID 109110955

IUPACN-butyl-6-(4-cyanoanilino)pyridazine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2ccc(C#N)cc2)nn1
InChIInChI=1S/C16H17N5O/c1-2-3-10-18-16(22)14-8-9-15(21-20-14)19-13-6-4-12(11-17)5-7-13/h4-9H,2-3,10H2,1H3,(H,18,22)(H,19,21)
InChIKeyFESSFXMFMLIPTN-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.62
Rot. Bonds6

About N-butyl-6-(4-cyanoanilino)pyridazine-3-carboxamide

N-butyl-6-(4-cyanoanilino)pyridazine-3-carboxamide (PubChem CID 109110955) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-butyl-6-(4-cyanoanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(4-cyanoanilino)pyridazine-3-carboxamide
PubChem CID109110955
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-butyl-6-(4-cyanoanilino)pyridazine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2ccc(C#N)cc2)nn1
InChIInChI=1S/C16H17N5O/c1-2-3-10-18-16(22)14-8-9-15(21-20-14)19-13-6-4-12(11-17)5-7-13/h4-9H,2-3,10H2,1H3,(H,18,22)(H,19,21)
InChIKeyFESSFXMFMLIPTN-UHFFFAOYSA-N
XLogP2.62
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-anilino-N-butylpyridazine-3-carboxamide
CID 109110857
N-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide
CID 109110899
5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide
CID 109195813
N-pentyl-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109125492
6-(3-bromo-4-methylanilino)-N-butylpyridazine-3-carboxamide
CID 109110894
6-(4-cyanoanilino)-N-cyclopropylpyridazine-3-carboxamide
CID 109110178
N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide
CID 109110889
6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide
CID 109109333
6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide
CID 109109344
5-(4-cyanoanilino)-N-propylpyrazine-2-carboxamide
CID 109270948
6-(4-cyanoanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121222
5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179230

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(4-cyanoanilino)pyridazine-3-carboxamide?
The IUPAC name of N-butyl-6-(4-cyanoanilino)pyridazine-3-carboxamide (CID 109110955) is N-butyl-6-(4-cyanoanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-butyl-6-(4-cyanoanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-butyl-6-(4-cyanoanilino)pyridazine-3-carboxamide is CCCCNC(=O)c1ccc(Nc2ccc(C#N)cc2)nn1.
What is the InChIKey of N-butyl-6-(4-cyanoanilino)pyridazine-3-carboxamide?
The InChIKey is FESSFXMFMLIPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-2-3-10-18-16(22)14-8-9-15(21-20-14)19-13-6-4-12(11-17)5-7-13/h4-9H,2-3,10H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-butyl-6-(4-cyanoanilino)pyridazine-3-carboxamide?
N-butyl-6-(4-cyanoanilino)pyridazine-3-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(4-cyanoanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109110955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).