5-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)pyridine-2-carbonitrile

C17H17N3 — CID 133335142

IUPAC5-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCC2CCCc3ccccc32)cn1
InChIInChI=1S/C17H17N3/c18-10-15-8-9-16(12-20-15)19-11-14-6-3-5-13-4-1-2-7-17(13)14/h1-2,4,7-9,12,14,19H,3,5-6,11H2
InChIKeyMNYAIWSWAPXUKC-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.49
Rot. Bonds3

About 5-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)pyridine-2-carbonitrile

5-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)pyridine-2-carbonitrile (PubChem CID 133335142) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)pyridine-2-carbonitrile
PubChem CID133335142
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name5-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCC2CCCc3ccccc32)cn1
InChIInChI=1S/C17H17N3/c18-10-15-8-9-16(12-20-15)19-11-14-6-3-5-13-4-1-2-7-17(13)14/h1-2,4,7-9,12,14,19H,3,5-6,11H2
InChIKeyMNYAIWSWAPXUKC-UHFFFAOYSA-N
XLogP3.49
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridin-3-amine
CID 63771060
4-(2,3-dihydro-1H-inden-1-ylmethylamino)pyridine-2,6-dicarbonitrile
CID 167951160
3-chloro-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 63771573
5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazine-2-carbonitrile
CID 63659094
5-[(4-ethylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 115487633
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 55242662
N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)aniline
CID 63771297
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)but-3-yn-2-amine
CID 114416758
5-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyrazine-2-carbonitrile
CID 133491170
5-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 115487752
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine
CID 63770878
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)pyridine-2-carbonitrile?
The IUPAC name of 5-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)pyridine-2-carbonitrile (CID 133335142) is 5-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)pyridine-2-carbonitrile is N#Cc1ccc(NCC2CCCc3ccccc32)cn1.
What is the InChIKey of 5-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)pyridine-2-carbonitrile?
The InChIKey is MNYAIWSWAPXUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c18-10-15-8-9-16(12-20-15)19-11-14-6-3-5-13-4-1-2-7-17(13)14/h1-2,4,7-9,12,14,19H,3,5-6,11H2.
What are the key properties of 5-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)pyridine-2-carbonitrile?
5-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)pyridine-2-carbonitrile has a molecular weight of 263.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 133335142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).