6-(4-propan-2-ylanilino)-N-prop-2-enylpyridazine-3-carboxamide

C17H20N4O — CID 109110487

IUPAC6-(4-propan-2-ylanilino)-N-prop-2-enylpyridazine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(Nc2ccc(C(C)C)cc2)nn1
InChIInChI=1S/C17H20N4O/c1-4-11-18-17(22)15-9-10-16(21-20-15)19-14-7-5-13(6-8-14)12(2)3/h4-10,12H,1,11H2,2-3H3,(H,18,22)(H,19,21)
InChIKeyMMSFVHXFRSIYLW-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.26
Rot. Bonds6

About 6-(4-propan-2-ylanilino)-N-prop-2-enylpyridazine-3-carboxamide

6-(4-propan-2-ylanilino)-N-prop-2-enylpyridazine-3-carboxamide (PubChem CID 109110487) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-(4-propan-2-ylanilino)-N-prop-2-enylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-propan-2-ylanilino)-N-prop-2-enylpyridazine-3-carboxamide
PubChem CID109110487
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name6-(4-propan-2-ylanilino)-N-prop-2-enylpyridazine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(Nc2ccc(C(C)C)cc2)nn1
InChIInChI=1S/C17H20N4O/c1-4-11-18-17(22)15-9-10-16(21-20-15)19-14-7-5-13(6-8-14)12(2)3/h4-10,12H,1,11H2,2-3H3,(H,18,22)(H,19,21)
InChIKeyMMSFVHXFRSIYLW-UHFFFAOYSA-N
XLogP3.26
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109125492
6-[2,6-di(propan-2-yl)anilino]-N-prop-2-enylpyridazine-3-carboxamide
CID 109110549
6-(3-bromoanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110543
6-(2-chloroanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110495
6-(2-bromoanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110542
6-(2-tert-butylanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110491
6-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109111066
6-anilino-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111240
N-(4-propan-2-ylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109143
N-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128208
6-(2-methoxy-5-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110513
6-(prop-2-enylamino)-N-propylpyridazine-3-carboxamide
CID 109109201

Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-ylanilino)-N-prop-2-enylpyridazine-3-carboxamide?
The IUPAC name of 6-(4-propan-2-ylanilino)-N-prop-2-enylpyridazine-3-carboxamide (CID 109110487) is 6-(4-propan-2-ylanilino)-N-prop-2-enylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-propan-2-ylanilino)-N-prop-2-enylpyridazine-3-carboxamide?
The canonical SMILES for 6-(4-propan-2-ylanilino)-N-prop-2-enylpyridazine-3-carboxamide is C=CCNC(=O)c1ccc(Nc2ccc(C(C)C)cc2)nn1.
What is the InChIKey of 6-(4-propan-2-ylanilino)-N-prop-2-enylpyridazine-3-carboxamide?
The InChIKey is MMSFVHXFRSIYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-4-11-18-17(22)15-9-10-16(21-20-15)19-14-7-5-13(6-8-14)12(2)3/h4-10,12H,1,11H2,2-3H3,(H,18,22)(H,19,21).
What are the key properties of 6-(4-propan-2-ylanilino)-N-prop-2-enylpyridazine-3-carboxamide?
6-(4-propan-2-ylanilino)-N-prop-2-enylpyridazine-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-ylanilino)-N-prop-2-enylpyridazine-3-carboxamide is sourced from PubChem (CID 109110487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).