N-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide

C15H17N3O3 — CID 103944574

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)N[C@@H](CO)c2ccccc2)c1C
InChIInChI=1S/C15H17N3O3/c1-9-10(2)17-18-15(21)13(9)14(20)16-12(8-19)11-6-4-3-5-7-11/h3-7,12,19H,8H2,1-2H3,(H,16,20)(H,18,21)/t12-/m0/s1
InChIKeyUPJBDXNTMATKKT-LBPRGKRZSA-N
MW287.32 g/mol
LogP0.85
Rot. Bonds4

About N-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide

N-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 103944574) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID103944574
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)N[C@@H](CO)c2ccccc2)c1C
InChIInChI=1S/C15H17N3O3/c1-9-10(2)17-18-15(21)13(9)14(20)16-12(8-19)11-6-4-3-5-7-11/h3-7,12,19H,8H2,1-2H3,(H,16,20)(H,18,21)/t12-/m0/s1
InChIKeyUPJBDXNTMATKKT-LBPRGKRZSA-N
XLogP0.85
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 55159643
N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 103944578
N-(2-hydroxy-1-phenylethyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110001205
N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103945112
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 103944559
N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide
CID 110001950
N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103772742
2-amino-N-(2-hydroxy-1-phenylethyl)-6-methylbenzamide
CID 63184679
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
N-(2-hydroxy-1-phenylethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 110001357
2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944481
2,6-difluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184322

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide (CID 103944574) is N-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide is Cc1n[nH]c(=O)c(C(=O)N[C@@H](CO)c2ccccc2)c1C.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is UPJBDXNTMATKKT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-10(2)17-18-15(21)13(9)14(20)16-12(8-19)11-6-4-3-5-7-11/h3-7,12,19H,8H2,1-2H3,(H,16,20)(H,18,21)/t12-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
N-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 103944574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).