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

C16H16N2O2 — CID 103860604

IUPACN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C16H16N2O2/c19-14-9-12-5-1-2-6-13(12)16(14)18-15(20)8-11-4-3-7-17-10-11/h1-7,10,14,16,19H,8-9H2,(H,18,20)/t14-,16+/m0/s1
InChIKeyNZCAILQRLOAZHR-GOEBONIOSA-N
MW268.32 g/mol
LogP1.40
Rot. Bonds3

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

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyridin-3-ylacetamide (PubChem CID 103860604) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyridin-3-ylacetamide
PubChem CID103860604
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C16H16N2O2/c19-14-9-12-5-1-2-6-13(12)16(14)18-15(20)8-11-4-3-7-17-10-11/h1-7,10,14,16,19H,8-9H2,(H,18,20)/t14-,16+/m0/s1
InChIKeyNZCAILQRLOAZHR-GOEBONIOSA-N
XLogP1.40
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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]-3-pyridin-3-ylpropanamide
CID 103816944
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-pyridin-3-ylethyl)urea
CID 110895671
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 111696498
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylpropanamide
CID 10858934
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(3-methylphenyl)acetamide
CID 103816958
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-hydroxyphenyl)acetamide
CID 103819076
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 111658786
3-ethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 99842360
4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 23881282

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyridin-3-ylacetamide (CID 103860604) is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyridin-3-ylacetamide?
The InChIKey is NZCAILQRLOAZHR-GOEBONIOSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-14-9-12-5-1-2-6-13(12)16(14)18-15(20)8-11-4-3-7-17-10-11/h1-7,10,14,16,19H,8-9H2,(H,18,20)/t14-,16+/m0/s1.
What are the key properties of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyridin-3-ylacetamide?
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyridin-3-ylacetamide has a molecular weight of 268.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 103860604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).