N-[(1S)-2-hydroxy-1-phenylethyl]-3,6-dimethylpyridazine-4-carboxamide

C15H17N3O2 — CID 103878997

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H](CO)c2ccccc2)c(C)nn1
InChIInChI=1S/C15H17N3O2/c1-10-8-13(11(2)18-17-10)15(20)16-14(9-19)12-6-4-3-5-7-12/h3-8,14,19H,9H2,1-2H3,(H,16,20)/t14-/m1/s1
InChIKeyZXAZIWRQJYDFJT-CQSZACIVSA-N
MW271.32 g/mol
LogP1.56
Rot. Bonds4

About N-[(1S)-2-hydroxy-1-phenylethyl]-3,6-dimethylpyridazine-4-carboxamide

N-[(1S)-2-hydroxy-1-phenylethyl]-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 103878997) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-3,6-dimethylpyridazine-4-carboxamide
PubChem CID103878997
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H](CO)c2ccccc2)c(C)nn1
InChIInChI=1S/C15H17N3O2/c1-10-8-13(11(2)18-17-10)15(20)16-14(9-19)12-6-4-3-5-7-12/h3-8,14,19H,9H2,1-2H3,(H,16,20)/t14-/m1/s1
InChIKeyZXAZIWRQJYDFJT-CQSZACIVSA-N
XLogP1.56
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671187
N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103772742
N-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide
CID 110028233
4-chloro-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-3-carboxamide
CID 81226919
N-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 110001315
5-amino-N-(2-hydroxy-1-phenylethyl)-2,4-dimethylbenzamide
CID 102705550
N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103945112
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-(3-amino-3-phenylpropyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671658
N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide
CID 110001393
N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
CID 63184440
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide
CID 103945018

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-3,6-dimethylpyridazine-4-carboxamide (CID 103878997) is N-[(1S)-2-hydroxy-1-phenylethyl]-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)N[C@H](CO)c2ccccc2)c(C)nn1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is ZXAZIWRQJYDFJT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-8-13(11(2)18-17-10)15(20)16-14(9-19)12-6-4-3-5-7-12/h3-8,14,19H,9H2,1-2H3,(H,16,20)/t14-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-3,6-dimethylpyridazine-4-carboxamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 103878997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).