5-(3-methoxyphenyl)-N-[(1R)-1-phenylethyl]pyridine-3-carbohydrazide

C21H21N3O2 — CID 118934572

IUPAC5-(3-methoxyphenyl)-N-[(1R)-1-phenylethyl]pyridine-3-carbohydrazide
SMILESCOc1cccc(-c2cncc(C(=O)N(N)[C@H](C)c3ccccc3)c2)c1
InChIInChI=1S/C21H21N3O2/c1-15(16-7-4-3-5-8-16)24(22)21(25)19-11-18(13-23-14-19)17-9-6-10-20(12-17)26-2/h3-15H,22H2,1-2H3/t15-/m1/s1
InChIKeyUXGUWPUWIKXKDR-OAHLLOKOSA-N
MW347.42 g/mol
LogP3.83
Rot. Bonds5

About 5-(3-methoxyphenyl)-N-[(1R)-1-phenylethyl]pyridine-3-carbohydrazide

5-(3-methoxyphenyl)-N-[(1R)-1-phenylethyl]pyridine-3-carbohydrazide (PubChem CID 118934572) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-[(1R)-1-phenylethyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-[(1R)-1-phenylethyl]pyridine-3-carbohydrazide
PubChem CID118934572
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name5-(3-methoxyphenyl)-N-[(1R)-1-phenylethyl]pyridine-3-carbohydrazide
SMILESCOc1cccc(-c2cncc(C(=O)N(N)[C@H](C)c3ccccc3)c2)c1
InChIInChI=1S/C21H21N3O2/c1-15(16-7-4-3-5-8-16)24(22)21(25)19-11-18(13-23-14-19)17-9-6-10-20(12-17)26-2/h3-15H,22H2,1-2H3/t15-/m1/s1
InChIKeyUXGUWPUWIKXKDR-OAHLLOKOSA-N
XLogP3.83
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 58833104
5-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95053221
5-(3-methoxyphenyl)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 10041572
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 95053218
3-chloro-5-(3-methoxyphenyl)pyridine
CID 173285153
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
(1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine
CID 93461021
N-(4-methoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 110683719
1-methoxy-3-(3-propan-2-ylphenyl)benzene
CID 23110868
3-N-(3-methoxyphenyl)-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105396
methyl 5-[3-(3,5-diamino-5-oxopentoxy)phenyl]pyridine-3-carboxylate;hydrochloride
CID 70393084
2-amino-5-methoxy-N-methyl-N-(1-phenylethyl)benzamide
CID 61112703

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-[(1R)-1-phenylethyl]pyridine-3-carbohydrazide?
The IUPAC name of 5-(3-methoxyphenyl)-N-[(1R)-1-phenylethyl]pyridine-3-carbohydrazide (CID 118934572) is 5-(3-methoxyphenyl)-N-[(1R)-1-phenylethyl]pyridine-3-carbohydrazide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-[(1R)-1-phenylethyl]pyridine-3-carbohydrazide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-[(1R)-1-phenylethyl]pyridine-3-carbohydrazide is COc1cccc(-c2cncc(C(=O)N(N)[C@H](C)c3ccccc3)c2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-[(1R)-1-phenylethyl]pyridine-3-carbohydrazide?
The InChIKey is UXGUWPUWIKXKDR-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15(16-7-4-3-5-8-16)24(22)21(25)19-11-18(13-23-14-19)17-9-6-10-20(12-17)26-2/h3-15H,22H2,1-2H3/t15-/m1/s1.
What are the key properties of 5-(3-methoxyphenyl)-N-[(1R)-1-phenylethyl]pyridine-3-carbohydrazide?
5-(3-methoxyphenyl)-N-[(1R)-1-phenylethyl]pyridine-3-carbohydrazide has a molecular weight of 347.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-[(1R)-1-phenylethyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 118934572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).