N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]pyridazine-4-carboxamide

C19H17N3O2 — CID 154759427

IUPACN-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]pyridazine-4-carboxamide
SMILESO=C(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1ccnnc1
InChIInChI=1S/C19H17N3O2/c23-18(15-9-5-2-6-10-15)17(14-7-3-1-4-8-14)22-19(24)16-11-12-20-21-13-16/h1-13,17-18,23H,(H,22,24)/t17-,18+/m1/s1
InChIKeyULJXLPZKTSNAKX-MSOLQXFVSA-N
MW319.36 g/mol
LogP2.68
Rot. Bonds5

About N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]pyridazine-4-carboxamide

N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]pyridazine-4-carboxamide (PubChem CID 154759427) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]pyridazine-4-carboxamide
PubChem CID154759427
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]pyridazine-4-carboxamide
SMILESO=C(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1ccnnc1
InChIInChI=1S/C19H17N3O2/c23-18(15-9-5-2-6-10-15)17(14-7-3-1-4-8-14)22-19(24)16-11-12-20-21-13-16/h1-13,17-18,23H,(H,22,24)/t17-,18+/m1/s1
InChIKeyULJXLPZKTSNAKX-MSOLQXFVSA-N
XLogP2.68
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-1-phenylethyl)pyridazine-4-carboxamide
CID 113356437
2-N,6-N-bis[(1S,2R)-2-hydroxy-1,2-diphenylethyl]pyridine-2,6-dicarboxamide
CID 171379474
N-propan-2-ylpyridazine-4-carboxamide
CID 115736010
3-phenyl-2-(pyridazine-4-carbonylamino)propanoic acid
CID 115909603
N-[(1R,2S,3R)-3-hydroxy-2-methyl-1,3-diphenylpropyl]benzamide
CID 134903315
[(1R,2S)-2-hydroxy-1,2-diphenylethyl]urea
CID 11097193
N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 59160033
N-[(1S,2R)-2-hydroxy-1-phenylpropyl]benzamide
CID 6934600
N-[3-(furan-2-yl)-3-phenylpropyl]pyridazine-4-carboxamide
CID 45249743
N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxamide
CID 166340444
3-benzamido-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 175045736
N-(1-chloropropan-2-yl)pyridazine-4-carboxamide
CID 104672603

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]pyridazine-4-carboxamide?
The IUPAC name of N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]pyridazine-4-carboxamide (CID 154759427) is N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]pyridazine-4-carboxamide is O=C(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1ccnnc1.
What is the InChIKey of N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]pyridazine-4-carboxamide?
The InChIKey is ULJXLPZKTSNAKX-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-18(15-9-5-2-6-10-15)17(14-7-3-1-4-8-14)22-19(24)16-11-12-20-21-13-16/h1-13,17-18,23H,(H,22,24)/t17-,18+/m1/s1.
What are the key properties of N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]pyridazine-4-carboxamide?
N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]pyridazine-4-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-hydroxy-1,2-diphenylethyl]pyridazine-4-carboxamide is sourced from PubChem (CID 154759427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).