N'-[2-(2,4-dimethylanilino)acetyl]-2-phenylmethoxypyridine-4-carbohydrazide

C23H24N4O3 — CID 56503764

IUPACN'-[2-(2,4-dimethylanilino)acetyl]-2-phenylmethoxypyridine-4-carbohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2ccnc(OCc3ccccc3)c2)c(C)c1
InChIInChI=1S/C23H24N4O3/c1-16-8-9-20(17(2)12-16)25-14-21(28)26-27-23(29)19-10-11-24-22(13-19)30-15-18-6-4-3-5-7-18/h3-13,25H,14-15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyPXWFOKGXRYCHJH-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.15
Rot. Bonds7

About N'-[2-(2,4-dimethylanilino)acetyl]-2-phenylmethoxypyridine-4-carbohydrazide

N'-[2-(2,4-dimethylanilino)acetyl]-2-phenylmethoxypyridine-4-carbohydrazide (PubChem CID 56503764) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N'-[2-(2,4-dimethylanilino)acetyl]-2-phenylmethoxypyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dimethylanilino)acetyl]-2-phenylmethoxypyridine-4-carbohydrazide
PubChem CID56503764
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN'-[2-(2,4-dimethylanilino)acetyl]-2-phenylmethoxypyridine-4-carbohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)c2ccnc(OCc3ccccc3)c2)c(C)c1
InChIInChI=1S/C23H24N4O3/c1-16-8-9-20(17(2)12-16)25-14-21(28)26-27-23(29)19-10-11-24-22(13-19)30-15-18-6-4-3-5-7-18/h3-13,25H,14-15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyPXWFOKGXRYCHJH-UHFFFAOYSA-N
XLogP3.15
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-2-phenylmethoxypyridine-4-carboxamide
CID 47366546
N'-(3,4-dimethoxybenzoyl)-2-phenylmethoxypyridine-4-carbohydrazide
CID 55996835
N-ethyl-2-phenylmethoxypyridine-4-carboxamide
CID 47366269
N'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide
CID 51429705
N-[3-[[[2-(2,4-dimethylanilino)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 55348082
N'-[2-(2,4-dimethylanilino)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9273255
N'-[2-(2,4-dimethylanilino)acetyl]-2-methylquinoline-4-carbohydrazide
CID 102603450
N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide
CID 102603460
2-phenylmethoxy-N-(2-phenylphenyl)pyridine-4-carboxamide
CID 60566988
N'-[2-(2,4-dimethylanilino)acetyl]-4-[ethyl(propan-2-yl)amino]benzohydrazide
CID 56503126
N-[(3-methyloxetan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide
CID 99122923
N-[3-[[[2-(2,4-dimethylanilino)acetyl]amino]carbamoyl]phenyl]propane-1-sulfonamide
CID 56504014

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dimethylanilino)acetyl]-2-phenylmethoxypyridine-4-carbohydrazide?
The IUPAC name of N'-[2-(2,4-dimethylanilino)acetyl]-2-phenylmethoxypyridine-4-carbohydrazide (CID 56503764) is N'-[2-(2,4-dimethylanilino)acetyl]-2-phenylmethoxypyridine-4-carbohydrazide.
What is the SMILES notation for N'-[2-(2,4-dimethylanilino)acetyl]-2-phenylmethoxypyridine-4-carbohydrazide?
The canonical SMILES for N'-[2-(2,4-dimethylanilino)acetyl]-2-phenylmethoxypyridine-4-carbohydrazide is Cc1ccc(NCC(=O)NNC(=O)c2ccnc(OCc3ccccc3)c2)c(C)c1.
What is the InChIKey of N'-[2-(2,4-dimethylanilino)acetyl]-2-phenylmethoxypyridine-4-carbohydrazide?
The InChIKey is PXWFOKGXRYCHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-16-8-9-20(17(2)12-16)25-14-21(28)26-27-23(29)19-10-11-24-22(13-19)30-15-18-6-4-3-5-7-18/h3-13,25H,14-15H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N'-[2-(2,4-dimethylanilino)acetyl]-2-phenylmethoxypyridine-4-carbohydrazide?
N'-[2-(2,4-dimethylanilino)acetyl]-2-phenylmethoxypyridine-4-carbohydrazide has a molecular weight of 404.47 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dimethylanilino)acetyl]-2-phenylmethoxypyridine-4-carbohydrazide is sourced from PubChem (CID 56503764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).