N-[6-(2-aminoanilino)-6-oxohexyl]pyridazine-4-carboxamide

C17H21N5O2 — CID 45137574

IUPACN-[6-(2-aminoanilino)-6-oxohexyl]pyridazine-4-carboxamide
SMILESNc1ccccc1NC(=O)CCCCCNC(=O)c1ccnnc1
InChIInChI=1S/C17H21N5O2/c18-14-6-3-4-7-15(14)22-16(23)8-2-1-5-10-19-17(24)13-9-11-20-21-12-13/h3-4,6-7,9,11-12H,1-2,5,8,10,18H2,(H,19,24)(H,22,23)
InChIKeyLUHPGDAFZALBGK-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.99
Rot. Bonds8

About N-[6-(2-aminoanilino)-6-oxohexyl]pyridazine-4-carboxamide

N-[6-(2-aminoanilino)-6-oxohexyl]pyridazine-4-carboxamide (PubChem CID 45137574) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[6-(2-aminoanilino)-6-oxohexyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(2-aminoanilino)-6-oxohexyl]pyridazine-4-carboxamide
PubChem CID45137574
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[6-(2-aminoanilino)-6-oxohexyl]pyridazine-4-carboxamide
SMILESNc1ccccc1NC(=O)CCCCCNC(=O)c1ccnnc1
InChIInChI=1S/C17H21N5O2/c18-14-6-3-4-7-15(14)22-16(23)8-2-1-5-10-19-17(24)13-9-11-20-21-12-13/h3-4,6-7,9,11-12H,1-2,5,8,10,18H2,(H,19,24)(H,22,23)
InChIKeyLUHPGDAFZALBGK-UHFFFAOYSA-N
XLogP1.99
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminoanilino)-6-oxohexyl]pyridazine-4-carboxamide?
The IUPAC name of N-[6-(2-aminoanilino)-6-oxohexyl]pyridazine-4-carboxamide (CID 45137574) is N-[6-(2-aminoanilino)-6-oxohexyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[6-(2-aminoanilino)-6-oxohexyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[6-(2-aminoanilino)-6-oxohexyl]pyridazine-4-carboxamide is Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccnnc1.
What is the InChIKey of N-[6-(2-aminoanilino)-6-oxohexyl]pyridazine-4-carboxamide?
The InChIKey is LUHPGDAFZALBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c18-14-6-3-4-7-15(14)22-16(23)8-2-1-5-10-19-17(24)13-9-11-20-21-12-13/h3-4,6-7,9,11-12H,1-2,5,8,10,18H2,(H,19,24)(H,22,23).
What are the key properties of N-[6-(2-aminoanilino)-6-oxohexyl]pyridazine-4-carboxamide?
N-[6-(2-aminoanilino)-6-oxohexyl]pyridazine-4-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminoanilino)-6-oxohexyl]pyridazine-4-carboxamide is sourced from PubChem (CID 45137574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).