N-(4-chlorophenyl)-6-oxo-1-propylpyridazine-3-carboxamide

C14H14ClN3O2 — CID 18081279

IUPACN-(4-chlorophenyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C14H14ClN3O2/c1-2-9-18-13(19)8-7-12(17-18)14(20)16-11-5-3-10(15)4-6-11/h3-8H,2,9H2,1H3,(H,16,20)
InChIKeyHHJSBOZVHZKBQH-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.56
Rot. Bonds4

About N-(4-chlorophenyl)-6-oxo-1-propylpyridazine-3-carboxamide

N-(4-chlorophenyl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 18081279) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID18081279
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC NameN-(4-chlorophenyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C14H14ClN3O2/c1-2-9-18-13(19)8-7-12(17-18)14(20)16-11-5-3-10(15)4-6-11/h3-8H,2,9H2,1H3,(H,16,20)
InChIKeyHHJSBOZVHZKBQH-UHFFFAOYSA-N
XLogP2.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 18081279) is N-(4-chlorophenyl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of N-(4-chlorophenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is HHJSBOZVHZKBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-2-9-18-13(19)8-7-12(17-18)14(20)16-11-5-3-10(15)4-6-11/h3-8H,2,9H2,1H3,(H,16,20).
What are the key properties of N-(4-chlorophenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(4-chlorophenyl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 18081279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).