N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide

C15H17N3O3 — CID 102673737

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)N[C@H](CO)Cc2ccccc2)ccc1=O
InChIInChI=1S/C15H17N3O3/c1-18-14(20)8-7-13(17-18)15(21)16-12(10-19)9-11-5-3-2-4-6-11/h2-8,12,19H,9-10H2,1H3,(H,16,21)/t12-/m0/s1
InChIKeyFEJVVTFQCVIWGO-LBPRGKRZSA-N
MW287.32 g/mol
LogP0.11
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 102673737) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID102673737
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)N[C@H](CO)Cc2ccccc2)ccc1=O
InChIInChI=1S/C15H17N3O3/c1-18-14(20)8-7-13(17-18)15(21)16-12(10-19)9-11-5-3-2-4-6-11/h2-8,12,19H,9-10H2,1H3,(H,16,21)/t12-/m0/s1
InChIKeyFEJVVTFQCVIWGO-LBPRGKRZSA-N
XLogP0.11
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 102673737) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)N[C@H](CO)Cc2ccccc2)ccc1=O.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is FEJVVTFQCVIWGO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18-14(20)8-7-13(17-18)15(21)16-12(10-19)9-11-5-3-2-4-6-11/h2-8,12,19H,9-10H2,1H3,(H,16,21)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 102673737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).