N-(2-hydroxy-2-phenylethyl)-6-(3-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide

C26H28N4O4 — CID 46226261

IUPACN-(2-hydroxy-2-phenylethyl)-6-(3-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide
SMILESO=C(NCC(O)c1ccccc1)c1ccc(N2CCC3(CC2)Oc2ccccc2CC3O)nn1
InChIInChI=1S/C26H28N4O4/c31-21(18-6-2-1-3-7-18)17-27-25(33)20-10-11-24(29-28-20)30-14-12-26(13-15-30)23(32)16-19-8-4-5-9-22(19)34-26/h1-11,21,23,31-32H,12-17H2,(H,27,33)
InChIKeyRXCQKLVIKIJAJK-UHFFFAOYSA-N
MW460.53 g/mol
LogP2.28
Rot. Bonds5

About N-(2-hydroxy-2-phenylethyl)-6-(3-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide

N-(2-hydroxy-2-phenylethyl)-6-(3-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide (PubChem CID 46226261) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-6-(3-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-6-(3-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide
PubChem CID46226261
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN-(2-hydroxy-2-phenylethyl)-6-(3-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide
SMILESO=C(NCC(O)c1ccccc1)c1ccc(N2CCC3(CC2)Oc2ccccc2CC3O)nn1
InChIInChI=1S/C26H28N4O4/c31-21(18-6-2-1-3-7-18)17-27-25(33)20-10-11-24(29-28-20)30-14-12-26(13-15-30)23(32)16-19-8-4-5-9-22(19)34-26/h1-11,21,23,31-32H,12-17H2,(H,27,33)
InChIKeyRXCQKLVIKIJAJK-UHFFFAOYSA-N
XLogP2.28
TPSA107.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-6-spiro[4,5-dihydro-3H-1,5-benzoxazepine-2,4'-piperidine]-1'-ylpyridazine-3-carboxamide
CID 53231165
N-(2-hydroxy-2-phenylethyl)-6-(4-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide
CID 46226260
N-(2-amino-2-phenylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119529366
6-chloro-N-[(2R)-2-hydroxy-2-phenylethyl]pyridazine-3-carboxamide
CID 87178650
N-[2-hydroxy-2-(2-methylpyrazol-3-yl)ethyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 136566330
6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109114472
6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide
CID 109117077
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111214
N-(2-phenylethyl)-6-spiro[indene-1,4'-piperidine]-1'-ylpyridazine-3-carboxamide
CID 68555804
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118140
1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[(2S)-2-hydroxy-2-phenylethyl]urea
CID 94151870
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109123501

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-6-(3-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-6-(3-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide (CID 46226261) is N-(2-hydroxy-2-phenylethyl)-6-(3-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-6-(3-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-6-(3-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide is O=C(NCC(O)c1ccccc1)c1ccc(N2CCC3(CC2)Oc2ccccc2CC3O)nn1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-6-(3-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide?
The InChIKey is RXCQKLVIKIJAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c31-21(18-6-2-1-3-7-18)17-27-25(33)20-10-11-24(29-28-20)30-14-12-26(13-15-30)23(32)16-19-8-4-5-9-22(19)34-26/h1-11,21,23,31-32H,12-17H2,(H,27,33).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-6-(3-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide?
N-(2-hydroxy-2-phenylethyl)-6-(3-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-6-(3-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 46226261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).