N-(2,3-dimethylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide

C16H19N3O2 — CID 17478646

IUPACN-(2,3-dimethylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2cccc(C)c2C)ccc1=O
InChIInChI=1S/C16H19N3O2/c1-4-10-19-15(20)9-8-14(18-19)16(21)17-13-7-5-6-11(2)12(13)3/h5-9H,4,10H2,1-3H3,(H,17,21)
InChIKeyVEKPXNPVPWEHIC-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.52
Rot. Bonds4

About N-(2,3-dimethylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide

N-(2,3-dimethylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 17478646) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID17478646
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(2,3-dimethylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2cccc(C)c2C)ccc1=O
InChIInChI=1S/C16H19N3O2/c1-4-10-19-15(20)9-8-14(18-19)16(21)17-13-7-5-6-11(2)12(13)3/h5-9H,4,10H2,1-3H3,(H,17,21)
InChIKeyVEKPXNPVPWEHIC-UHFFFAOYSA-N
XLogP2.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 17478646) is N-(2,3-dimethylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2cccc(C)c2C)ccc1=O.
What is the InChIKey of N-(2,3-dimethylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is VEKPXNPVPWEHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-10-19-15(20)9-8-14(18-19)16(21)17-13-7-5-6-11(2)12(13)3/h5-9H,4,10H2,1-3H3,(H,17,21).
What are the key properties of N-(2,3-dimethylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(2,3-dimethylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 17478646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).