N-pentyl-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide

C19H26N4O — CID 109125492

IUPACN-pentyl-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide
SMILESCCCCCNC(=O)c1ccc(Nc2ccc(C(C)C)cc2)nn1
InChIInChI=1S/C19H26N4O/c1-4-5-6-13-20-19(24)17-11-12-18(23-22-17)21-16-9-7-15(8-10-16)14(2)3/h7-12,14H,4-6,13H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyZXANEOVYKWWJDJ-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.26
Rot. Bonds8

About N-pentyl-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide

N-pentyl-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide (PubChem CID 109125492) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-pentyl-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-pentyl-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide
PubChem CID109125492
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-pentyl-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide
SMILESCCCCCNC(=O)c1ccc(Nc2ccc(C(C)C)cc2)nn1
InChIInChI=1S/C19H26N4O/c1-4-5-6-13-20-19(24)17-11-12-18(23-22-17)21-16-9-7-15(8-10-16)14(2)3/h7-12,14H,4-6,13H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyZXANEOVYKWWJDJ-UHFFFAOYSA-N
XLogP4.26
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
6-(4-propan-2-ylanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110487
N-butyl-6-(4-cyanoanilino)pyridazine-3-carboxamide
CID 109110955
N-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide
CID 109110899
6-(3-bromo-4-methylanilino)-N-butylpyridazine-3-carboxamide
CID 109110894
N-butyl-6-(3-chloro-4-fluoroanilino)pyridazine-3-carboxamide
CID 109110889
6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide
CID 109109344
N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109143
6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide
CID 109109333
6-(2-methoxyanilino)-N-pentylpyridazine-3-carboxamide
CID 109125507
6-(3,5-dimethylanilino)-N-propylpyridazine-3-carboxamide
CID 109109300
6-[2-(4-chlorophenyl)ethylamino]-N-pentylpyridazine-3-carboxamide
CID 109123350

Frequently Asked Questions

What is the IUPAC name of N-pentyl-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-pentyl-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide (CID 109125492) is N-pentyl-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-pentyl-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-pentyl-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide is CCCCCNC(=O)c1ccc(Nc2ccc(C(C)C)cc2)nn1.
What is the InChIKey of N-pentyl-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide?
The InChIKey is ZXANEOVYKWWJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-5-6-13-20-19(24)17-11-12-18(23-22-17)21-16-9-7-15(8-10-16)14(2)3/h7-12,14H,4-6,13H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of N-pentyl-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide?
N-pentyl-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109125492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).