2-hydroxy-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-3,4-dihydro-1H-naphthalene-2-carboxamide

C22H26N2O3 — CID 126796497

IUPAC2-hydroxy-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESO=C(NC1CCC(O)(c2cccnc2)CC1)C1(O)CCc2ccccc2C1
InChIInChI=1S/C22H26N2O3/c25-20(22(27)10-7-16-4-1-2-5-17(16)14-22)24-19-8-11-21(26,12-9-19)18-6-3-13-23-15-18/h1-6,13,15,19,26-27H,7-12,14H2,(H,24,25)
InChIKeyQTTFPNNTITWFGB-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.25
Rot. Bonds3

About 2-hydroxy-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-3,4-dihydro-1H-naphthalene-2-carboxamide

2-hydroxy-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-3,4-dihydro-1H-naphthalene-2-carboxamide (PubChem CID 126796497) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-hydroxy-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-3,4-dihydro-1H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-3,4-dihydro-1H-naphthalene-2-carboxamide
PubChem CID126796497
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-hydroxy-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESO=C(NC1CCC(O)(c2cccnc2)CC1)C1(O)CCc2ccccc2C1
InChIInChI=1S/C22H26N2O3/c25-20(22(27)10-7-16-4-1-2-5-17(16)14-22)24-19-8-11-21(26,12-9-19)18-6-3-13-23-15-18/h1-6,13,15,19,26-27H,7-12,14H2,(H,24,25)
InChIKeyQTTFPNNTITWFGB-UHFFFAOYSA-N
XLogP2.25
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-chloropyrazin-2-yl)amino]-1-pyridin-3-ylcyclohexan-1-ol
CID 167801146
N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-2-(oxolan-2-yl)acetamide
CID 86796662
3-fluoro-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-pyrrol-1-ylbenzamide
CID 126773932
1-(cyclobutylmethyl)-3-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-1-propan-2-ylurea
CID 99840857
cyclobutyl-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 95833425
4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)-4-pyridin-3-ylpiperidine-1-carboxamide
CID 121497817
N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446435
N-cyclopentylpyridine-3-carboxamide
CID 805532
9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid
CID 66755240
tert-butyl N-(4-hydroxy-4-phenylcyclohexyl)carbamate
CID 142554256
1-[(3S)-3-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-4-methylpiperazin-1-yl]ethanone
CID 95827555
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]pyridine-3-sulfonamide
CID 90581181

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-3,4-dihydro-1H-naphthalene-2-carboxamide?
The IUPAC name of 2-hydroxy-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-3,4-dihydro-1H-naphthalene-2-carboxamide (CID 126796497) is 2-hydroxy-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-3,4-dihydro-1H-naphthalene-2-carboxamide.
What is the SMILES notation for 2-hydroxy-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-3,4-dihydro-1H-naphthalene-2-carboxamide?
The canonical SMILES for 2-hydroxy-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-3,4-dihydro-1H-naphthalene-2-carboxamide is O=C(NC1CCC(O)(c2cccnc2)CC1)C1(O)CCc2ccccc2C1.
What is the InChIKey of 2-hydroxy-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-3,4-dihydro-1H-naphthalene-2-carboxamide?
The InChIKey is QTTFPNNTITWFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-20(22(27)10-7-16-4-1-2-5-17(16)14-22)24-19-8-11-21(26,12-9-19)18-6-3-13-23-15-18/h1-6,13,15,19,26-27H,7-12,14H2,(H,24,25).
What are the key properties of 2-hydroxy-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-3,4-dihydro-1H-naphthalene-2-carboxamide?
2-hydroxy-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-3,4-dihydro-1H-naphthalene-2-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-3,4-dihydro-1H-naphthalene-2-carboxamide is sourced from PubChem (CID 126796497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).