6-(2-chloroanilino)-N-prop-2-enylpyridazine-3-carboxamide

C14H13ClN4O — CID 109110495

IUPAC6-(2-chloroanilino)-N-prop-2-enylpyridazine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(Nc2ccccc2Cl)nn1
InChIInChI=1S/C14H13ClN4O/c1-2-9-16-14(20)12-7-8-13(19-18-12)17-11-6-4-3-5-10(11)15/h2-8H,1,9H2,(H,16,20)(H,17,19)
InChIKeyHUZWDVOOKOCFCO-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.79
Rot. Bonds5

About 6-(2-chloroanilino)-N-prop-2-enylpyridazine-3-carboxamide

6-(2-chloroanilino)-N-prop-2-enylpyridazine-3-carboxamide (PubChem CID 109110495) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 6-(2-chloroanilino)-N-prop-2-enylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chloroanilino)-N-prop-2-enylpyridazine-3-carboxamide
PubChem CID109110495
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name6-(2-chloroanilino)-N-prop-2-enylpyridazine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(Nc2ccccc2Cl)nn1
InChIInChI=1S/C14H13ClN4O/c1-2-9-16-14(20)12-7-8-13(19-18-12)17-11-6-4-3-5-10(11)15/h2-8H,1,9H2,(H,16,20)(H,17,19)
InChIKeyHUZWDVOOKOCFCO-UHFFFAOYSA-N
XLogP2.79
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.79
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-bromoanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110542
6-(2-tert-butylanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110491
6-[(2-chlorophenyl)methylamino]-N-prop-2-enylpyridazine-3-carboxamide
CID 109110410
6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118178
6-(4-propan-2-ylanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110487
6-(3-bromoanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110543
6-[2,6-di(propan-2-yl)anilino]-N-prop-2-enylpyridazine-3-carboxamide
CID 109110549
6-(2-methoxy-5-methylanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110513
ethyl 4-[[6-(2-chloroanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109128602
4-N-(2-chlorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043565
[6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111996
6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
CID 109128614

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroanilino)-N-prop-2-enylpyridazine-3-carboxamide?
The IUPAC name of 6-(2-chloroanilino)-N-prop-2-enylpyridazine-3-carboxamide (CID 109110495) is 6-(2-chloroanilino)-N-prop-2-enylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-chloroanilino)-N-prop-2-enylpyridazine-3-carboxamide?
The canonical SMILES for 6-(2-chloroanilino)-N-prop-2-enylpyridazine-3-carboxamide is C=CCNC(=O)c1ccc(Nc2ccccc2Cl)nn1.
What is the InChIKey of 6-(2-chloroanilino)-N-prop-2-enylpyridazine-3-carboxamide?
The InChIKey is HUZWDVOOKOCFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-2-9-16-14(20)12-7-8-13(19-18-12)17-11-6-4-3-5-10(11)15/h2-8H,1,9H2,(H,16,20)(H,17,19).
What are the key properties of 6-(2-chloroanilino)-N-prop-2-enylpyridazine-3-carboxamide?
6-(2-chloroanilino)-N-prop-2-enylpyridazine-3-carboxamide has a molecular weight of 288.74 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroanilino)-N-prop-2-enylpyridazine-3-carboxamide is sourced from PubChem (CID 109110495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).