N'-[(2-chlorophenyl)methyl]-4-phenoxypyridine-2-carbohydrazide

C19H16ClN3O2 — CID 141350540

IUPACN'-[(2-chlorophenyl)methyl]-4-phenoxypyridine-2-carbohydrazide
SMILESO=C(NNCc1ccccc1Cl)c1cc(Oc2ccccc2)ccn1
InChIInChI=1S/C19H16ClN3O2/c20-17-9-5-4-6-14(17)13-22-23-19(24)18-12-16(10-11-21-18)25-15-7-2-1-3-8-15/h1-12,22H,13H2,(H,23,24)
InChIKeyDEEOJUTZHZFIPH-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.96
Rot. Bonds6

About N'-[(2-chlorophenyl)methyl]-4-phenoxypyridine-2-carbohydrazide

N'-[(2-chlorophenyl)methyl]-4-phenoxypyridine-2-carbohydrazide (PubChem CID 141350540) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-4-phenoxypyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-4-phenoxypyridine-2-carbohydrazide
PubChem CID141350540
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC NameN'-[(2-chlorophenyl)methyl]-4-phenoxypyridine-2-carbohydrazide
SMILESO=C(NNCc1ccccc1Cl)c1cc(Oc2ccccc2)ccn1
InChIInChI=1S/C19H16ClN3O2/c20-17-9-5-4-6-14(17)13-22-23-19(24)18-12-16(10-11-21-18)25-15-7-2-1-3-8-15/h1-12,22H,13H2,(H,23,24)
InChIKeyDEEOJUTZHZFIPH-UHFFFAOYSA-N
XLogP3.96
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.96
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

1-[4-[[2-[[[2-(2-chlorophenyl)acetyl]amino]carbamoyl]-4-pyridinyl]oxy]phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 86567237
N'-[4-chloro-3-(trifluoromethyl)benzoyl]-4-phenoxypyridine-2-carbohydrazide
CID 141370066
4-N-[(2-chlorophenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086644
cis-(1R,3S)-3-[(4-phenoxypyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677474
2-N-[(2-chlorophenyl)methyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109086683
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[2-[(pyridine-2-carbonylamino)carbamoyl]-4-pyridinyl]oxy]phenyl]urea
CID 86566684
N'-[(2-chlorophenyl)methyl]-6-(4-methoxyphenyl)pyrazine-2-carbohydrazide
CID 175559847
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
N-[(2-chlorophenyl)methyl]-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109211655
4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide
CID 43517871
2-N-[(2-chlorophenyl)methyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086329
4-[2-(hydroxymethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 107713393

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-4-phenoxypyridine-2-carbohydrazide?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-4-phenoxypyridine-2-carbohydrazide (CID 141350540) is N'-[(2-chlorophenyl)methyl]-4-phenoxypyridine-2-carbohydrazide.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-4-phenoxypyridine-2-carbohydrazide?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-4-phenoxypyridine-2-carbohydrazide is O=C(NNCc1ccccc1Cl)c1cc(Oc2ccccc2)ccn1.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-4-phenoxypyridine-2-carbohydrazide?
The InChIKey is DEEOJUTZHZFIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-17-9-5-4-6-14(17)13-22-23-19(24)18-12-16(10-11-21-18)25-15-7-2-1-3-8-15/h1-12,22H,13H2,(H,23,24).
What are the key properties of N'-[(2-chlorophenyl)methyl]-4-phenoxypyridine-2-carbohydrazide?
N'-[(2-chlorophenyl)methyl]-4-phenoxypyridine-2-carbohydrazide has a molecular weight of 353.81 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methyl]-4-phenoxypyridine-2-carbohydrazide is sourced from PubChem (CID 141350540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).