4-(2,3-dihydro-1H-inden-1-ylmethylamino)pyridine-2,6-dicarbonitrile

C17H14N4 — CID 167951160

IUPAC4-(2,3-dihydro-1H-inden-1-ylmethylamino)pyridine-2,6-dicarbonitrile
SMILESN#Cc1cc(NCC2CCc3ccccc32)cc(C#N)n1
InChIInChI=1S/C17H14N4/c18-9-15-7-14(8-16(10-19)21-15)20-11-13-6-5-12-3-1-2-4-17(12)13/h1-4,7-8,13H,5-6,11H2,(H,20,21)
InChIKeySHLJYQRSNWYFPI-UHFFFAOYSA-N
MW274.33 g/mol
LogP2.97
Rot. Bonds3

About 4-(2,3-dihydro-1H-inden-1-ylmethylamino)pyridine-2,6-dicarbonitrile

4-(2,3-dihydro-1H-inden-1-ylmethylamino)pyridine-2,6-dicarbonitrile (PubChem CID 167951160) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-1-ylmethylamino)pyridine-2,6-dicarbonitrile.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-1-ylmethylamino)pyridine-2,6-dicarbonitrile
PubChem CID167951160
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name4-(2,3-dihydro-1H-inden-1-ylmethylamino)pyridine-2,6-dicarbonitrile
SMILESN#Cc1cc(NCC2CCc3ccccc32)cc(C#N)n1
InChIInChI=1S/C17H14N4/c18-9-15-7-14(8-16(10-19)21-15)20-11-13-6-5-12-3-1-2-4-17(12)13/h1-4,7-8,13H,5-6,11H2,(H,20,21)
InChIKeySHLJYQRSNWYFPI-UHFFFAOYSA-N
XLogP2.97
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)pyridine-2-carbonitrile
CID 133335142
3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)benzonitrile
CID 66419876
3-chloro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 63771573
1-ethyl-2,3-dihydro-1H-indene
CID 20971
6-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridin-3-amine
CID 63771060
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrimidine-4-carbonitrile
CID 107544308
(2S)-2-[(4-methoxyanilino)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 40603057
N-(3-cyano-4-fluorophenyl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955794
3-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-fluorobenzene-1,3-diamine
CID 66396181
(1S)-1-benzyl-2,3-dihydro-1H-indene
CID 134957742
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 55242662
3-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 133335140

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-1-ylmethylamino)pyridine-2,6-dicarbonitrile?
The IUPAC name of 4-(2,3-dihydro-1H-inden-1-ylmethylamino)pyridine-2,6-dicarbonitrile (CID 167951160) is 4-(2,3-dihydro-1H-inden-1-ylmethylamino)pyridine-2,6-dicarbonitrile.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-1-ylmethylamino)pyridine-2,6-dicarbonitrile?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-1-ylmethylamino)pyridine-2,6-dicarbonitrile is N#Cc1cc(NCC2CCc3ccccc32)cc(C#N)n1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-1-ylmethylamino)pyridine-2,6-dicarbonitrile?
The InChIKey is SHLJYQRSNWYFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c18-9-15-7-14(8-16(10-19)21-15)20-11-13-6-5-12-3-1-2-4-17(12)13/h1-4,7-8,13H,5-6,11H2,(H,20,21).
What are the key properties of 4-(2,3-dihydro-1H-inden-1-ylmethylamino)pyridine-2,6-dicarbonitrile?
4-(2,3-dihydro-1H-inden-1-ylmethylamino)pyridine-2,6-dicarbonitrile has a molecular weight of 274.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-1-ylmethylamino)pyridine-2,6-dicarbonitrile is sourced from PubChem (CID 167951160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).