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

C22H20N2O3 — CID 68515656

IUPACN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-4-pyridin-4-ylbenzamide
SMILESCOc1cc(-c2ccncc2)ccc1C(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C22H20N2O3/c1-27-20-13-15(14-8-10-23-11-9-14)6-7-18(20)22(26)24-21-17-5-3-2-4-16(17)12-19(21)25/h2-11,13,19,21,25H,12H2,1H3,(H,24,26)/t19-,21+/m1/s1
InChIKeyHMKZUDIKDFSPJK-CTNGQTDRSA-N
MW360.41 g/mol
LogP3.15
Rot. Bonds4

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

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-4-pyridin-4-ylbenzamide (PubChem CID 68515656) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-4-pyridin-4-ylbenzamide
PubChem CID68515656
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-4-pyridin-4-ylbenzamide
SMILESCOc1cc(-c2ccncc2)ccc1C(=O)N[C@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C22H20N2O3/c1-27-20-13-15(14-8-10-23-11-9-14)6-7-18(20)22(26)24-21-17-5-3-2-4-16(17)12-19(21)25/h2-11,13,19,21,25H,12H2,1H3,(H,24,26)/t19-,21+/m1/s1
InChIKeyHMKZUDIKDFSPJK-CTNGQTDRSA-N
XLogP3.15
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-4-pyridin-4-ylbenzamide with MolForge

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Related Compounds

3-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 103863026
3-ethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 99842360
3-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzamide
CID 110903576
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 111696335
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methoxythiophene-2-carboxamide
CID 96526031
2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 106509864
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yloxybenzamide
CID 136512292
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiophene-3-carboxamide
CID 97065228
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-ylurea
CID 110895973
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 65311609
2-fluoro-4-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 107677059
2-chloro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 103869650

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-4-pyridin-4-ylbenzamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-4-pyridin-4-ylbenzamide (CID 68515656) is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-4-pyridin-4-ylbenzamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-4-pyridin-4-ylbenzamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-4-pyridin-4-ylbenzamide is COc1cc(-c2ccncc2)ccc1C(=O)N[C@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-4-pyridin-4-ylbenzamide?
The InChIKey is HMKZUDIKDFSPJK-CTNGQTDRSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-27-20-13-15(14-8-10-23-11-9-14)6-7-18(20)22(26)24-21-17-5-3-2-4-16(17)12-19(21)25/h2-11,13,19,21,25H,12H2,1H3,(H,24,26)/t19-,21+/m1/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-4-pyridin-4-ylbenzamide?
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-4-pyridin-4-ylbenzamide has a molecular weight of 360.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 68515656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).