N'-(2-methylbenzoyl)-6-[(1S)-1-phenylethoxy]pyridine-3-carbohydrazide

C22H21N3O3 — CID 51959303

IUPACN'-(2-methylbenzoyl)-6-[(1S)-1-phenylethoxy]pyridine-3-carbohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1
InChIInChI=1S/C22H21N3O3/c1-15-8-6-7-11-19(15)22(27)25-24-21(26)18-12-13-20(23-14-18)28-16(2)17-9-4-3-5-10-17/h3-14,16H,1-2H3,(H,24,26)(H,25,27)/t16-/m0/s1
InChIKeyZBLVHAWKIIEGPH-INIZCTEOSA-N
MW375.43 g/mol
LogP3.60
Rot. Bonds5

About N'-(2-methylbenzoyl)-6-[(1S)-1-phenylethoxy]pyridine-3-carbohydrazide

N'-(2-methylbenzoyl)-6-[(1S)-1-phenylethoxy]pyridine-3-carbohydrazide (PubChem CID 51959303) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N'-(2-methylbenzoyl)-6-[(1S)-1-phenylethoxy]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methylbenzoyl)-6-[(1S)-1-phenylethoxy]pyridine-3-carbohydrazide
PubChem CID51959303
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN'-(2-methylbenzoyl)-6-[(1S)-1-phenylethoxy]pyridine-3-carbohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1
InChIInChI=1S/C22H21N3O3/c1-15-8-6-7-11-19(15)22(27)25-24-21(26)18-12-13-20(23-14-18)28-16(2)17-9-4-3-5-10-17/h3-14,16H,1-2H3,(H,24,26)(H,25,27)/t16-/m0/s1
InChIKeyZBLVHAWKIIEGPH-INIZCTEOSA-N
XLogP3.60
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(1R)-1-phenylethoxy]-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 51956127
6-[(1R)-1-phenylethoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide
CID 51956656
6-[(1R)-1-phenylethoxy]-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 51964432
N-[3-(morpholine-4-carbonyl)phenyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide
CID 95146314
6-(1-phenylethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 47054518
2-methyl-N'-(3-propan-2-yloxybenzoyl)benzohydrazide
CID 17142532
2-methyl-N'-[4-(propan-2-yloxymethyl)benzoyl]benzohydrazide
CID 8623835
N-[(2-hydroxy-5-nitrophenyl)methyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide
CID 95158004
2-methyl-N'-[4-(2-methylpropyl)benzoyl]benzohydrazide
CID 8623833
N'-(4-chlorobenzoyl)-2-methylbenzohydrazide
CID 795258
2-methyl-N-[4-[[[2-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 4944008
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-[(1S)-1-phenylethoxy]pyridine-3-carboxamide
CID 95151089

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylbenzoyl)-6-[(1S)-1-phenylethoxy]pyridine-3-carbohydrazide?
The IUPAC name of N'-(2-methylbenzoyl)-6-[(1S)-1-phenylethoxy]pyridine-3-carbohydrazide (CID 51959303) is N'-(2-methylbenzoyl)-6-[(1S)-1-phenylethoxy]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(2-methylbenzoyl)-6-[(1S)-1-phenylethoxy]pyridine-3-carbohydrazide?
The canonical SMILES for N'-(2-methylbenzoyl)-6-[(1S)-1-phenylethoxy]pyridine-3-carbohydrazide is Cc1ccccc1C(=O)NNC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1.
What is the InChIKey of N'-(2-methylbenzoyl)-6-[(1S)-1-phenylethoxy]pyridine-3-carbohydrazide?
The InChIKey is ZBLVHAWKIIEGPH-INIZCTEOSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15-8-6-7-11-19(15)22(27)25-24-21(26)18-12-13-20(23-14-18)28-16(2)17-9-4-3-5-10-17/h3-14,16H,1-2H3,(H,24,26)(H,25,27)/t16-/m0/s1.
What are the key properties of N'-(2-methylbenzoyl)-6-[(1S)-1-phenylethoxy]pyridine-3-carbohydrazide?
N'-(2-methylbenzoyl)-6-[(1S)-1-phenylethoxy]pyridine-3-carbohydrazide has a molecular weight of 375.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylbenzoyl)-6-[(1S)-1-phenylethoxy]pyridine-3-carbohydrazide is sourced from PubChem (CID 51959303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).