N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-pyridin-3-yloxybenzamide

C21H18N2O3 — CID 96570027

IUPACN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-pyridin-3-yloxybenzamide
SMILESO=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C21H18N2O3/c24-19-12-15-4-1-2-6-18(15)20(19)23-21(25)14-7-9-16(10-8-14)26-17-5-3-11-22-13-17/h1-11,13,19-20,24H,12H2,(H,23,25)/t19-,20+/m0/s1
InChIKeyMJYLWCIYYZJBPR-VQTJNVASSA-N
MW346.39 g/mol
LogP3.26
Rot. Bonds4

About N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-pyridin-3-yloxybenzamide

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-pyridin-3-yloxybenzamide (PubChem CID 96570027) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-pyridin-3-yloxybenzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-pyridin-3-yloxybenzamide
PubChem CID96570027
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-pyridin-3-yloxybenzamide
SMILESO=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C21H18N2O3/c24-19-12-15-4-1-2-6-18(15)20(19)23-21(25)14-7-9-16(10-8-14)26-17-5-3-11-22-13-17/h1-11,13,19-20,24H,12H2,(H,23,25)/t19-,20+/m0/s1
InChIKeyMJYLWCIYYZJBPR-VQTJNVASSA-N
XLogP3.26
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yloxybenzamide
CID 136512292
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
CID 104629828
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-pyridin-3-ylacetamide
CID 62690720
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyridin-3-ylacetamide
CID 103860604
3-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 103863026
cis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677236
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpyrimidine-5-carboxamide
CID 111658856
4-methoxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
CID 5152197
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-pyridin-3-ylpropanamide
CID 103816944
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 164603208
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1H-indazole-5-carboxamide
CID 110903518

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-pyridin-3-yloxybenzamide?
The IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-pyridin-3-yloxybenzamide (CID 96570027) is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-pyridin-3-yloxybenzamide.
What is the SMILES notation for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-pyridin-3-yloxybenzamide?
The canonical SMILES for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-pyridin-3-yloxybenzamide is O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(Oc2cccnc2)cc1.
What is the InChIKey of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-pyridin-3-yloxybenzamide?
The InChIKey is MJYLWCIYYZJBPR-VQTJNVASSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-19-12-15-4-1-2-6-18(15)20(19)23-21(25)14-7-9-16(10-8-14)26-17-5-3-11-22-13-17/h1-11,13,19-20,24H,12H2,(H,23,25)/t19-,20+/m0/s1.
What are the key properties of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-pyridin-3-yloxybenzamide?
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-pyridin-3-yloxybenzamide has a molecular weight of 346.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-pyridin-3-yloxybenzamide is sourced from PubChem (CID 96570027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).