(5'-pyridin-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide

C18H17N5 — CID 58466975

IUPAC(5'-pyridin-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide
SMILESN#CNC1=NCC2(CCc3cccc(-c4cccnc4)c3C2)N1
InChIInChI=1S/C18H17N5/c19-12-22-17-21-11-18(23-17)7-6-13-3-1-5-15(16(13)9-18)14-4-2-8-20-10-14/h1-5,8,10H,6-7,9,11H2,(H2,21,22,23)
InChIKeyJAYNYMFMIZYOGS-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.01
Rot. Bonds1

About (5'-pyridin-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide

(5'-pyridin-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide (PubChem CID 58466975) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is (5'-pyridin-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide.

Molecular Properties

Compound Name(5'-pyridin-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide
PubChem CID58466975
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name(5'-pyridin-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide
SMILESN#CNC1=NCC2(CCc3cccc(-c4cccnc4)c3C2)N1
InChIInChI=1S/C18H17N5/c19-12-22-17-21-11-18(23-17)7-6-13-3-1-5-15(16(13)9-18)14-4-2-8-20-10-14/h1-5,8,10H,6-7,9,11H2,(H2,21,22,23)
InChIKeyJAYNYMFMIZYOGS-UHFFFAOYSA-N
XLogP2.01
TPSA73.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
CID 58467250
5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 56863104
8'-pyridin-3-ylspiro[1,3-oxazolidine-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
CID 123860567
3-(1,3-dihydro-2-benzofuran-4-yl)pyridine;methanamine
CID 142525776
N,N-dimethyl-5-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 25070235
7-amino-4-pyridin-3-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 122183618
5-pyridin-3-yl-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 169122125
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
8'-(furan-2-yl)spiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
CID 76794778
(3R,5'R)-5'-methyl-8-pyridin-3-ylspiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]-2'-amine
CID 58466886
3-pyridin-3-yl-4,5-dihydro-1H-benzo[g]indole
CID 155668346
cyclopenta[c]azepine
CID 638010

Frequently Asked Questions

What is the IUPAC name of (5'-pyridin-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide?
The IUPAC name of (5'-pyridin-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide (CID 58466975) is (5'-pyridin-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide.
What is the SMILES notation for (5'-pyridin-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide?
The canonical SMILES for (5'-pyridin-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide is N#CNC1=NCC2(CCc3cccc(-c4cccnc4)c3C2)N1.
What is the InChIKey of (5'-pyridin-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide?
The InChIKey is JAYNYMFMIZYOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c19-12-22-17-21-11-18(23-17)7-6-13-3-1-5-15(16(13)9-18)14-4-2-8-20-10-14/h1-5,8,10H,6-7,9,11H2,(H2,21,22,23).
What are the key properties of (5'-pyridin-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide?
(5'-pyridin-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide has a molecular weight of 303.37 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5'-pyridin-3-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-yl)cyanamide is sourced from PubChem (CID 58466975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).