(4aS,8aR)-4a-methyl-5-(pyridin-2-ylmethyl)-1,2,3,4,6,7,8,8a-octahydro-1,5-naphthyridine

C15H23N3 — CID 110138265

IUPAC(4aS,8aR)-4a-methyl-5-(pyridin-2-ylmethyl)-1,2,3,4,6,7,8,8a-octahydro-1,5-naphthyridine
SMILESC[C@]12CCCN[C@@H]1CCCN2Cc1ccccn1
InChIInChI=1S/C15H23N3/c1-15-8-5-10-17-14(15)7-4-11-18(15)12-13-6-2-3-9-16-13/h2-3,6,9,14,17H,4-5,7-8,10-12H2,1H3/t14-,15+/m1/s1
InChIKeyFBOLOFBWKTVUDZ-CABCVRRESA-N
MW245.37 g/mol
LogP2.19
Rot. Bonds2

About (4aS,8aR)-4a-methyl-5-(pyridin-2-ylmethyl)-1,2,3,4,6,7,8,8a-octahydro-1,5-naphthyridine

(4aS,8aR)-4a-methyl-5-(pyridin-2-ylmethyl)-1,2,3,4,6,7,8,8a-octahydro-1,5-naphthyridine (PubChem CID 110138265) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is (4aS,8aR)-4a-methyl-5-(pyridin-2-ylmethyl)-1,2,3,4,6,7,8,8a-octahydro-1,5-naphthyridine.

Molecular Properties

Compound Name(4aS,8aR)-4a-methyl-5-(pyridin-2-ylmethyl)-1,2,3,4,6,7,8,8a-octahydro-1,5-naphthyridine
PubChem CID110138265
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name(4aS,8aR)-4a-methyl-5-(pyridin-2-ylmethyl)-1,2,3,4,6,7,8,8a-octahydro-1,5-naphthyridine
SMILESC[C@]12CCCN[C@@H]1CCCN2Cc1ccccn1
InChIInChI=1S/C15H23N3/c1-15-8-5-10-17-14(15)7-4-11-18(15)12-13-6-2-3-9-16-13/h2-3,6,9,14,17H,4-5,7-8,10-12H2,1H3/t14-,15+/m1/s1
InChIKeyFBOLOFBWKTVUDZ-CABCVRRESA-N
XLogP2.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2,2-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol
CID 117017714
3-methyl-1-(pyridin-2-ylmethyl)-1,4-diazocan-2-one
CID 117016241
3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 71639374
5-tert-butyl-2-cyclopropyl-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 64842250
2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
CID 138112738
[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanamine
CID 117020604
8-propan-2-yl-6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64840047
3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one
CID 63606119
1-[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 117020753
3-methyl-1-(pyridin-2-ylmethyl)piperidin-3-ol
CID 115873664
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020
ethane;1-(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane
CID 171786933

Frequently Asked Questions

What is the IUPAC name of (4aS,8aR)-4a-methyl-5-(pyridin-2-ylmethyl)-1,2,3,4,6,7,8,8a-octahydro-1,5-naphthyridine?
The IUPAC name of (4aS,8aR)-4a-methyl-5-(pyridin-2-ylmethyl)-1,2,3,4,6,7,8,8a-octahydro-1,5-naphthyridine (CID 110138265) is (4aS,8aR)-4a-methyl-5-(pyridin-2-ylmethyl)-1,2,3,4,6,7,8,8a-octahydro-1,5-naphthyridine.
What is the SMILES notation for (4aS,8aR)-4a-methyl-5-(pyridin-2-ylmethyl)-1,2,3,4,6,7,8,8a-octahydro-1,5-naphthyridine?
The canonical SMILES for (4aS,8aR)-4a-methyl-5-(pyridin-2-ylmethyl)-1,2,3,4,6,7,8,8a-octahydro-1,5-naphthyridine is C[C@]12CCCN[C@@H]1CCCN2Cc1ccccn1.
What is the InChIKey of (4aS,8aR)-4a-methyl-5-(pyridin-2-ylmethyl)-1,2,3,4,6,7,8,8a-octahydro-1,5-naphthyridine?
The InChIKey is FBOLOFBWKTVUDZ-CABCVRRESA-N. The full InChI is InChI=1S/C15H23N3/c1-15-8-5-10-17-14(15)7-4-11-18(15)12-13-6-2-3-9-16-13/h2-3,6,9,14,17H,4-5,7-8,10-12H2,1H3/t14-,15+/m1/s1.
What are the key properties of (4aS,8aR)-4a-methyl-5-(pyridin-2-ylmethyl)-1,2,3,4,6,7,8,8a-octahydro-1,5-naphthyridine?
(4aS,8aR)-4a-methyl-5-(pyridin-2-ylmethyl)-1,2,3,4,6,7,8,8a-octahydro-1,5-naphthyridine has a molecular weight of 245.37 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aR)-4a-methyl-5-(pyridin-2-ylmethyl)-1,2,3,4,6,7,8,8a-octahydro-1,5-naphthyridine is sourced from PubChem (CID 110138265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).