7-[5-[(3S)-pyrrolidin-3-yl]hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

C18H29N3 — CID 170052630

IUPAC7-[5-[(3S)-pyrrolidin-3-yl]hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCC(CCCCc1ccc2c(n1)NCCC2)[C@@H]1CCNC1
InChIInChI=1S/C18H29N3/c1-14(16-10-12-19-13-16)5-2-3-7-17-9-8-15-6-4-11-20-18(15)21-17/h8-9,14,16,19H,2-7,10-13H2,1H3,(H,20,21)/t14?,16-/m1/s1
InChIKeyXZJBWVNFIUOLNO-BZSJEYESSA-N
MW287.45 g/mol
LogP3.40
Rot. Bonds6

About 7-[5-[(3S)-pyrrolidin-3-yl]hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

7-[5-[(3S)-pyrrolidin-3-yl]hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 170052630) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 7-[5-[(3S)-pyrrolidin-3-yl]hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name7-[5-[(3S)-pyrrolidin-3-yl]hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID170052630
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name7-[5-[(3S)-pyrrolidin-3-yl]hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCC(CCCCc1ccc2c(n1)NCCC2)[C@@H]1CCNC1
InChIInChI=1S/C18H29N3/c1-14(16-10-12-19-13-16)5-2-3-7-17-9-8-15-6-4-11-20-18(15)21-17/h8-9,14,16,19H,2-7,10-13H2,1H3,(H,20,21)/t14?,16-/m1/s1
InChIKeyXZJBWVNFIUOLNO-BZSJEYESSA-N
XLogP3.40
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(5-pyrrolidin-3-ylpentyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;hydrochloride
CID 146423102
7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane
CID 177029160
7-(4-pyrrolidin-3-yloxybutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine;dihydrochloride
CID 146417599
7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;dihydrochloride
CID 146417597
7-[3-(pyrrolidin-3-ylmethoxy)propyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 146423040
3-hydroxy-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 90338346
N-ethyl-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-amine
CID 154031401
7-(9,9-difluoro-5-methylidenenonyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 139473684
(E,3R)-1-(2-propan-2-ylpyrimidin-5-yl)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-ol
CID 11485411
N-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine
CID 68525783
7-[4-[(1R)-2,2-dimethylcyclopentyl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 176954656
[1-carboxy-3-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butoxy]propyl]azanide;yttrium
CID 171833196

Frequently Asked Questions

What is the IUPAC name of 7-[5-[(3S)-pyrrolidin-3-yl]hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 7-[5-[(3S)-pyrrolidin-3-yl]hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 170052630) is 7-[5-[(3S)-pyrrolidin-3-yl]hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 7-[5-[(3S)-pyrrolidin-3-yl]hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 7-[5-[(3S)-pyrrolidin-3-yl]hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is CC(CCCCc1ccc2c(n1)NCCC2)[C@@H]1CCNC1.
What is the InChIKey of 7-[5-[(3S)-pyrrolidin-3-yl]hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is XZJBWVNFIUOLNO-BZSJEYESSA-N. The full InChI is InChI=1S/C18H29N3/c1-14(16-10-12-19-13-16)5-2-3-7-17-9-8-15-6-4-11-20-18(15)21-17/h8-9,14,16,19H,2-7,10-13H2,1H3,(H,20,21)/t14?,16-/m1/s1.
What are the key properties of 7-[5-[(3S)-pyrrolidin-3-yl]hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
7-[5-[(3S)-pyrrolidin-3-yl]hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 287.45 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(3S)-pyrrolidin-3-yl]hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 170052630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).