2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-pyrimidin-2-ylacetohydrazide

C17H20N4O2 — CID 86839663

IUPAC2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-pyrimidin-2-ylacetohydrazide
SMILESCOc1ccc2c(c1)CCCC2CC(=O)NNc1ncccn1
InChIInChI=1S/C17H20N4O2/c1-23-14-6-7-15-12(10-14)4-2-5-13(15)11-16(22)20-21-17-18-8-3-9-19-17/h3,6-10,13H,2,4-5,11H2,1H3,(H,20,22)(H,18,19,21)
InChIKeyLVVUHFUBMLOYFO-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.44
Rot. Bonds5

About 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-pyrimidin-2-ylacetohydrazide

2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-pyrimidin-2-ylacetohydrazide (PubChem CID 86839663) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-pyrimidin-2-ylacetohydrazide.

Molecular Properties

Compound Name2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-pyrimidin-2-ylacetohydrazide
PubChem CID86839663
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-pyrimidin-2-ylacetohydrazide
SMILESCOc1ccc2c(c1)CCCC2CC(=O)NNc1ncccn1
InChIInChI=1S/C17H20N4O2/c1-23-14-6-7-15-12(10-14)4-2-5-13(15)11-16(22)20-21-17-18-8-3-9-19-17/h3,6-10,13H,2,4-5,11H2,1H3,(H,20,22)(H,18,19,21)
InChIKeyLVVUHFUBMLOYFO-UHFFFAOYSA-N
XLogP2.44
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
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-(1-hydroxy-2-methylpropan-2-yl)-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 110000682
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(3-quinolin-8-yloxypropyl)acetamide
CID 56543430
N-methoxy-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
CID 97314076
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 97063872
2-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-N-propylpropanamide
CID 47072021
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 47072614
2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 94661738
3,3,3-trifluoro-N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide
CID 86794394
1-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120550930
5-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-1H-indazole-3-carboxylic acid
CID 167828045
1-[4-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide
CID 56507403
methyl 2-[6-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]acetate
CID 57135196

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-pyrimidin-2-ylacetohydrazide?
The IUPAC name of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-pyrimidin-2-ylacetohydrazide (CID 86839663) is 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-pyrimidin-2-ylacetohydrazide.
What is the SMILES notation for 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-pyrimidin-2-ylacetohydrazide?
The canonical SMILES for 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-pyrimidin-2-ylacetohydrazide is COc1ccc2c(c1)CCCC2CC(=O)NNc1ncccn1.
What is the InChIKey of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-pyrimidin-2-ylacetohydrazide?
The InChIKey is LVVUHFUBMLOYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-14-6-7-15-12(10-14)4-2-5-13(15)11-16(22)20-21-17-18-8-3-9-19-17/h3,6-10,13H,2,4-5,11H2,1H3,(H,20,22)(H,18,19,21).
What are the key properties of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-pyrimidin-2-ylacetohydrazide?
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-pyrimidin-2-ylacetohydrazide has a molecular weight of 312.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-pyrimidin-2-ylacetohydrazide is sourced from PubChem (CID 86839663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).