6-[(2-chlorophenyl)methylamino]-N-prop-2-enylpyridazine-3-carboxamide

C15H15ClN4O — CID 109110410

IUPAC6-[(2-chlorophenyl)methylamino]-N-prop-2-enylpyridazine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NCc2ccccc2Cl)nn1
InChIInChI=1S/C15H15ClN4O/c1-2-9-17-15(21)13-7-8-14(20-19-13)18-10-11-5-3-4-6-12(11)16/h2-8H,1,9-10H2,(H,17,21)(H,18,20)
InChIKeyOHSSDGPFHWSDQO-UHFFFAOYSA-N
MW302.77 g/mol
LogP2.66
Rot. Bonds6

About 6-[(2-chlorophenyl)methylamino]-N-prop-2-enylpyridazine-3-carboxamide

6-[(2-chlorophenyl)methylamino]-N-prop-2-enylpyridazine-3-carboxamide (PubChem CID 109110410) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methylamino]-N-prop-2-enylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methylamino]-N-prop-2-enylpyridazine-3-carboxamide
PubChem CID109110410
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name6-[(2-chlorophenyl)methylamino]-N-prop-2-enylpyridazine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NCc2ccccc2Cl)nn1
InChIInChI=1S/C15H15ClN4O/c1-2-9-17-15(21)13-7-8-14(20-19-13)18-10-11-5-3-4-6-12(11)16/h2-8H,1,9-10H2,(H,17,21)(H,18,20)
InChIKeyOHSSDGPFHWSDQO-UHFFFAOYSA-N
XLogP2.66
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.66
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-chlorophenyl)methylamino]-N-propylpyridazine-3-carboxamide
CID 109109231
6-(2-chloroanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110495
6-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide
CID 109115965
6-[(2-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109119670
6-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109119692
6-[(2-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109119717
N-[(2-chlorophenyl)methyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115796
6-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109119678
N-butan-2-yl-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide
CID 109111563
N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide
CID 109119641
N-[2-(2-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110225
6-(2-bromoanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110542

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methylamino]-N-prop-2-enylpyridazine-3-carboxamide?
The IUPAC name of 6-[(2-chlorophenyl)methylamino]-N-prop-2-enylpyridazine-3-carboxamide (CID 109110410) is 6-[(2-chlorophenyl)methylamino]-N-prop-2-enylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(2-chlorophenyl)methylamino]-N-prop-2-enylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(2-chlorophenyl)methylamino]-N-prop-2-enylpyridazine-3-carboxamide is C=CCNC(=O)c1ccc(NCc2ccccc2Cl)nn1.
What is the InChIKey of 6-[(2-chlorophenyl)methylamino]-N-prop-2-enylpyridazine-3-carboxamide?
The InChIKey is OHSSDGPFHWSDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-2-9-17-15(21)13-7-8-14(20-19-13)18-10-11-5-3-4-6-12(11)16/h2-8H,1,9-10H2,(H,17,21)(H,18,20).
What are the key properties of 6-[(2-chlorophenyl)methylamino]-N-prop-2-enylpyridazine-3-carboxamide?
6-[(2-chlorophenyl)methylamino]-N-prop-2-enylpyridazine-3-carboxamide has a molecular weight of 302.77 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methylamino]-N-prop-2-enylpyridazine-3-carboxamide is sourced from PubChem (CID 109110410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).