N-(2-hydroxy-3-phenoxypropyl)-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide

C21H22N4O3 — CID 151890676

IUPACN-(2-hydroxy-3-phenoxypropyl)-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide
SMILESO=C(c1cccnc1)N(CC(O)COc1ccccc1)NCc1ccncc1
InChIInChI=1S/C21H22N4O3/c26-19(16-28-20-6-2-1-3-7-20)15-25(21(27)18-5-4-10-23-14-18)24-13-17-8-11-22-12-9-17/h1-12,14,19,24,26H,13,15-16H2
InChIKeySQRALRJGZOMXSB-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.06
Rot. Bonds9

About N-(2-hydroxy-3-phenoxypropyl)-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide

N-(2-hydroxy-3-phenoxypropyl)-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide (PubChem CID 151890676) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenoxypropyl)-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenoxypropyl)-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide
PubChem CID151890676
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(2-hydroxy-3-phenoxypropyl)-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide
SMILESO=C(c1cccnc1)N(CC(O)COc1ccccc1)NCc1ccncc1
InChIInChI=1S/C21H22N4O3/c26-19(16-28-20-6-2-1-3-7-20)15-25(21(27)18-5-4-10-23-14-18)24-13-17-8-11-22-12-9-17/h1-12,14,19,24,26H,13,15-16H2
InChIKeySQRALRJGZOMXSB-UHFFFAOYSA-N
XLogP2.06
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxy-3-phenoxypropyl) pyridine-3-carboxylate
CID 11414636
N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide
CID 47311353
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
ethyl 4-[2-hydroxy-3-[methyl(pyridin-3-ylmethyl)amino]propoxy]benzoate
CID 42926568
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-[(2S)-1-oxo-3-phenyl-1-(pyridin-4-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
CID 42534610
1-(4-aminophenoxy)-3-[methyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 43563910
N-[[4-[2-[benzyl-(2-hydroxy-3-phenoxypropyl)amino]-3-hydroxypropyl]phenyl]methyl]benzamide
CID 91270693
1-[2-[bis(2-hydroxy-3-phenoxypropyl)amino]ethyl-(2-hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol
CID 4019354
benzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate
CID 102235547
1-benzyl-3-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]urea
CID 94813696
1-methyl-1-(3-phenoxypropyl)-3-(pyridin-4-ylmethyl)urea
CID 86998973

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenoxypropyl)-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide?
The IUPAC name of N-(2-hydroxy-3-phenoxypropyl)-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide (CID 151890676) is N-(2-hydroxy-3-phenoxypropyl)-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N-(2-hydroxy-3-phenoxypropyl)-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide?
The canonical SMILES for N-(2-hydroxy-3-phenoxypropyl)-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide is O=C(c1cccnc1)N(CC(O)COc1ccccc1)NCc1ccncc1.
What is the InChIKey of N-(2-hydroxy-3-phenoxypropyl)-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide?
The InChIKey is SQRALRJGZOMXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-19(16-28-20-6-2-1-3-7-20)15-25(21(27)18-5-4-10-23-14-18)24-13-17-8-11-22-12-9-17/h1-12,14,19,24,26H,13,15-16H2.
What are the key properties of N-(2-hydroxy-3-phenoxypropyl)-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide?
N-(2-hydroxy-3-phenoxypropyl)-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide has a molecular weight of 378.43 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenoxypropyl)-N'-(pyridin-4-ylmethyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 151890676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).