3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyridine-2-carbonitrile

C17H17N3O — CID 107683551

IUPAC3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyridine-2-carbonitrile
SMILESCNC1CCc2cc(OCc3cccnc3C#N)ccc21
InChIInChI=1S/C17H17N3O/c1-19-16-7-4-12-9-14(5-6-15(12)16)21-11-13-3-2-8-20-17(13)10-18/h2-3,5-6,8-9,16,19H,4,7,11H2,1H3
InChIKeyQKTMKCUMGLOSOA-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.74
Rot. Bonds4

About 3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyridine-2-carbonitrile

3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyridine-2-carbonitrile (PubChem CID 107683551) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyridine-2-carbonitrile
PubChem CID107683551
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyridine-2-carbonitrile
SMILESCNC1CCc2cc(OCc3cccnc3C#N)ccc21
InChIInChI=1S/C17H17N3O/c1-19-16-7-4-12-9-14(5-6-15(12)16)21-11-13-3-2-8-20-17(13)10-18/h2-3,5-6,8-9,16,19H,4,7,11H2,1H3
InChIKeyQKTMKCUMGLOSOA-UHFFFAOYSA-N
XLogP2.74
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,3-difluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683246
5-[(2-chloro-4-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683254
5-[(5-chloro-2-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683270
3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile
CID 62894480
6-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63499231
N-methyl-5-(2-methylpropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683424
N-methyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683362
N-methyl-5-[(2-methyltetrazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683464
N-ethyl-5-[(2-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683619
5-[(3-cyclopropylimidazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683380
3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 62889971
3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 10036717

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyridine-2-carbonitrile (CID 107683551) is 3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyridine-2-carbonitrile is CNC1CCc2cc(OCc3cccnc3C#N)ccc21.
What is the InChIKey of 3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyridine-2-carbonitrile?
The InChIKey is QKTMKCUMGLOSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-19-16-7-4-12-9-14(5-6-15(12)16)21-11-13-3-2-8-20-17(13)10-18/h2-3,5-6,8-9,16,19H,4,7,11H2,1H3.
What are the key properties of 3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyridine-2-carbonitrile?
3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyridine-2-carbonitrile has a molecular weight of 279.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 107683551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).