N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide

C16H16N2O2 — CID 24747943

IUPACN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)n1
InChIInChI=1S/C16H16N2O2/c1-10-5-4-8-13(17-10)16(20)18-15-12-7-3-2-6-11(12)9-14(15)19/h2-8,14-15,19H,9H2,1H3,(H,18,20)/t14-,15+/m0/s1
InChIKeyYHTDVGNFLJTUGV-LSDHHAIUSA-N
MW268.32 g/mol
LogP1.78
Rot. Bonds2

About N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide (PubChem CID 24747943) 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]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide
PubChem CID24747943
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)n1
InChIInChI=1S/C16H16N2O2/c1-10-5-4-8-13(17-10)16(20)18-15-12-7-3-2-6-11(12)9-14(15)19/h2-8,14-15,19H,9H2,1H3,(H,18,20)/t14-,15+/m0/s1
InChIKeyYHTDVGNFLJTUGV-LSDHHAIUSA-N
XLogP1.78
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide (CID 24747943) is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)n1.
What is the InChIKey of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is YHTDVGNFLJTUGV-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-5-4-8-13(17-10)16(20)18-15-12-7-3-2-6-11(12)9-14(15)19/h2-8,14-15,19H,9H2,1H3,(H,18,20)/t14-,15+/m0/s1.
What are the key properties of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide?
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 1.78, 2 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]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 24747943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).