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

C17H19N3O2 — CID 71925183

IUPACN-ethyl-6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N[C@@H]2c3ccccc3C[C@@H]2O)nc1
InChIInChI=1S/C17H19N3O2/c1-2-18-17(22)12-7-8-15(19-10-12)20-16-13-6-4-3-5-11(13)9-14(16)21/h3-8,10,14,16,21H,2,9H2,1H3,(H,18,22)(H,19,20)/t14-,16+/m0/s1
InChIKeyDFGUIVUOKVGFEG-GOEBONIOSA-N
MW297.36 g/mol
LogP1.90
Rot. Bonds4

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

N-ethyl-6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carboxamide (PubChem CID 71925183) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-ethyl-6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carboxamide
PubChem CID71925183
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-ethyl-6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N[C@@H]2c3ccccc3C[C@@H]2O)nc1
InChIInChI=1S/C17H19N3O2/c1-2-18-17(22)12-7-8-15(19-10-12)20-16-13-6-4-3-5-11(13)9-14(16)21/h3-8,10,14,16,21H,2,9H2,1H3,(H,18,22)(H,19,20)/t14-,16+/m0/s1
InChIKeyDFGUIVUOKVGFEG-GOEBONIOSA-N
XLogP1.90
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carboxamide (CID 71925183) is N-ethyl-6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carboxamide is CCNC(=O)c1ccc(N[C@@H]2c3ccccc3C[C@@H]2O)nc1.
What is the InChIKey of N-ethyl-6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carboxamide?
The InChIKey is DFGUIVUOKVGFEG-GOEBONIOSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-2-18-17(22)12-7-8-15(19-10-12)20-16-13-6-4-3-5-11(13)9-14(16)21/h3-8,10,14,16,21H,2,9H2,1H3,(H,18,22)(H,19,20)/t14-,16+/m0/s1.
What are the key properties of N-ethyl-6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carboxamide?
N-ethyl-6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 71925183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).