N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide

C15H17N3O3 — CID 31887874

IUPACN-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCOC[C@H](C)NC(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C15H17N3O3/c1-11(10-21-2)16-15(20)13-8-9-14(19)18(17-13)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,16,20)/t11-/m0/s1
InChIKeyNWIDBJPMFYPQKC-NSHDSACASA-N
MW287.32 g/mol
LogP1.00
Rot. Bonds5

About N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide

N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 31887874) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID31887874
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCOC[C@H](C)NC(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C15H17N3O3/c1-11(10-21-2)16-15(20)13-8-9-14(19)18(17-13)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,16,20)/t11-/m0/s1
InChIKeyNWIDBJPMFYPQKC-NSHDSACASA-N
XLogP1.00
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide (CID 31887874) is N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide is COC[C@H](C)NC(=O)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is NWIDBJPMFYPQKC-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11(10-21-2)16-15(20)13-8-9-14(19)18(17-13)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,16,20)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide?
N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 31887874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).