6-[2,6-di(propan-2-yl)anilino]-N-prop-2-enylpyridazine-3-carboxamide

C20H26N4O — CID 109110549

IUPAC6-[2,6-di(propan-2-yl)anilino]-N-prop-2-enylpyridazine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(Nc2c(C(C)C)cccc2C(C)C)nn1
InChIInChI=1S/C20H26N4O/c1-6-12-21-20(25)17-10-11-18(24-23-17)22-19-15(13(2)3)8-7-9-16(19)14(4)5/h6-11,13-14H,1,12H2,2-5H3,(H,21,25)(H,22,24)
InChIKeyAWIZWYXCEYCGAL-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.38
Rot. Bonds7

About 6-[2,6-di(propan-2-yl)anilino]-N-prop-2-enylpyridazine-3-carboxamide

6-[2,6-di(propan-2-yl)anilino]-N-prop-2-enylpyridazine-3-carboxamide (PubChem CID 109110549) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 6-[2,6-di(propan-2-yl)anilino]-N-prop-2-enylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2,6-di(propan-2-yl)anilino]-N-prop-2-enylpyridazine-3-carboxamide
PubChem CID109110549
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name6-[2,6-di(propan-2-yl)anilino]-N-prop-2-enylpyridazine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(Nc2c(C(C)C)cccc2C(C)C)nn1
InChIInChI=1S/C20H26N4O/c1-6-12-21-20(25)17-10-11-18(24-23-17)22-19-15(13(2)3)8-7-9-16(19)14(4)5/h6-11,13-14H,1,12H2,2-5H3,(H,21,25)(H,22,24)
InChIKeyAWIZWYXCEYCGAL-UHFFFAOYSA-N
XLogP4.38
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.38
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-(4-propan-2-ylanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110487
N-(2-methyl-6-propan-2-ylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110294
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-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115064
N-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128294
2-(2-methyl-6-propan-2-ylanilino)-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247761
4-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202178
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-[2,6-di(propan-2-yl)anilino]-N-prop-2-enylpyridazine-3-carboxamide?
The IUPAC name of 6-[2,6-di(propan-2-yl)anilino]-N-prop-2-enylpyridazine-3-carboxamide (CID 109110549) is 6-[2,6-di(propan-2-yl)anilino]-N-prop-2-enylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[2,6-di(propan-2-yl)anilino]-N-prop-2-enylpyridazine-3-carboxamide?
The canonical SMILES for 6-[2,6-di(propan-2-yl)anilino]-N-prop-2-enylpyridazine-3-carboxamide is C=CCNC(=O)c1ccc(Nc2c(C(C)C)cccc2C(C)C)nn1.
What is the InChIKey of 6-[2,6-di(propan-2-yl)anilino]-N-prop-2-enylpyridazine-3-carboxamide?
The InChIKey is AWIZWYXCEYCGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-6-12-21-20(25)17-10-11-18(24-23-17)22-19-15(13(2)3)8-7-9-16(19)14(4)5/h6-11,13-14H,1,12H2,2-5H3,(H,21,25)(H,22,24).
What are the key properties of 6-[2,6-di(propan-2-yl)anilino]-N-prop-2-enylpyridazine-3-carboxamide?
6-[2,6-di(propan-2-yl)anilino]-N-prop-2-enylpyridazine-3-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-di(propan-2-yl)anilino]-N-prop-2-enylpyridazine-3-carboxamide is sourced from PubChem (CID 109110549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).