6-(2-tert-butylanilino)-N-prop-2-enylpyridazine-3-carboxamide

C18H22N4O — CID 109110491

IUPAC6-(2-tert-butylanilino)-N-prop-2-enylpyridazine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(Nc2ccccc2C(C)(C)C)nn1
InChIInChI=1S/C18H22N4O/c1-5-12-19-17(23)15-10-11-16(22-21-15)20-14-9-7-6-8-13(14)18(2,3)4/h5-11H,1,12H2,2-4H3,(H,19,23)(H,20,22)
InChIKeyAPJXICNIPLORES-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.43
Rot. Bonds5

About 6-(2-tert-butylanilino)-N-prop-2-enylpyridazine-3-carboxamide

6-(2-tert-butylanilino)-N-prop-2-enylpyridazine-3-carboxamide (PubChem CID 109110491) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-(2-tert-butylanilino)-N-prop-2-enylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-tert-butylanilino)-N-prop-2-enylpyridazine-3-carboxamide
PubChem CID109110491
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name6-(2-tert-butylanilino)-N-prop-2-enylpyridazine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(Nc2ccccc2C(C)(C)C)nn1
InChIInChI=1S/C18H22N4O/c1-5-12-19-17(23)15-10-11-16(22-21-15)20-14-9-7-6-8-13(14)18(2,3)4/h5-11H,1,12H2,2-4H3,(H,19,23)(H,20,22)
InChIKeyAPJXICNIPLORES-UHFFFAOYSA-N
XLogP3.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.43
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

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-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120862
4-N-(2-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043561
N-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide
CID 109128317
6-[2,6-di(propan-2-yl)anilino]-N-prop-2-enylpyridazine-3-carboxamide
CID 109110549
N-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109147
6-(2-methoxy-5-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110513
6-(4-propan-2-ylanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110487
6-[(2-chlorophenyl)methylamino]-N-prop-2-enylpyridazine-3-carboxamide
CID 109110410
6-(3-bromoanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110543
N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125175

Frequently Asked Questions

What is the IUPAC name of 6-(2-tert-butylanilino)-N-prop-2-enylpyridazine-3-carboxamide?
The IUPAC name of 6-(2-tert-butylanilino)-N-prop-2-enylpyridazine-3-carboxamide (CID 109110491) is 6-(2-tert-butylanilino)-N-prop-2-enylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-tert-butylanilino)-N-prop-2-enylpyridazine-3-carboxamide?
The canonical SMILES for 6-(2-tert-butylanilino)-N-prop-2-enylpyridazine-3-carboxamide is C=CCNC(=O)c1ccc(Nc2ccccc2C(C)(C)C)nn1.
What is the InChIKey of 6-(2-tert-butylanilino)-N-prop-2-enylpyridazine-3-carboxamide?
The InChIKey is APJXICNIPLORES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-5-12-19-17(23)15-10-11-16(22-21-15)20-14-9-7-6-8-13(14)18(2,3)4/h5-11H,1,12H2,2-4H3,(H,19,23)(H,20,22).
What are the key properties of 6-(2-tert-butylanilino)-N-prop-2-enylpyridazine-3-carboxamide?
6-(2-tert-butylanilino)-N-prop-2-enylpyridazine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-tert-butylanilino)-N-prop-2-enylpyridazine-3-carboxamide is sourced from PubChem (CID 109110491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).