1-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol

C21H23N5O — CID 3099297

IUPAC1-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESCc1nc(NN=Cc2c(O)ccc3ccccc23)cc(N2CCCCC2)n1
InChIInChI=1S/C21H23N5O/c1-15-23-20(13-21(24-15)26-11-5-2-6-12-26)25-22-14-18-17-8-4-3-7-16(17)9-10-19(18)27/h3-4,7-10,13-14,27H,2,5-6,11-12H2,1H3,(H,23,24,25)
InChIKeyKCYWCVUWROFTHJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.08
Rot. Bonds4

About 1-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol

1-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol (PubChem CID 3099297) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
PubChem CID3099297
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name1-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESCc1nc(NN=Cc2c(O)ccc3ccccc23)cc(N2CCCCC2)n1
InChIInChI=1S/C21H23N5O/c1-15-23-20(13-21(24-15)26-11-5-2-6-12-26)25-22-14-18-17-8-4-3-7-16(17)9-10-19(18)27/h3-4,7-10,13-14,27H,2,5-6,11-12H2,1H3,(H,23,24,25)
InChIKeyKCYWCVUWROFTHJ-UHFFFAOYSA-N
XLogP4.08
TPSA73.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol (CID 3099297) is 1-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol is Cc1nc(NN=Cc2c(O)ccc3ccccc23)cc(N2CCCCC2)n1.
What is the InChIKey of 1-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The InChIKey is KCYWCVUWROFTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15-23-20(13-21(24-15)26-11-5-2-6-12-26)25-22-14-18-17-8-4-3-7-16(17)9-10-19(18)27/h3-4,7-10,13-14,27H,2,5-6,11-12H2,1H3,(H,23,24,25).
What are the key properties of 1-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol?
1-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol has a molecular weight of 361.45 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol is sourced from PubChem (CID 3099297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).