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

C17H27N3O — CID 146417253

IUPAC7-[5-[(3R)-pyrrolidin-3-yl]oxypentyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESc1cc2c(nc1CCCCCO[C@@H]1CCNC1)NCCC2
InChIInChI=1S/C17H27N3O/c1(3-12-21-16-9-11-18-13-16)2-6-15-8-7-14-5-4-10-19-17(14)20-15/h7-8,16,18H,1-6,9-13H2,(H,19,20)/t16-/m1/s1
InChIKeyRMMBGUNRLBDIGO-MRXNPFEDSA-N
MW289.42 g/mol
LogP2.53
Rot. Bonds7

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

7-[5-[(3R)-pyrrolidin-3-yl]oxypentyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 146417253) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 7-[5-[(3R)-pyrrolidin-3-yl]oxypentyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name7-[5-[(3R)-pyrrolidin-3-yl]oxypentyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID146417253
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name7-[5-[(3R)-pyrrolidin-3-yl]oxypentyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESc1cc2c(nc1CCCCCO[C@@H]1CCNC1)NCCC2
InChIInChI=1S/C17H27N3O/c1(3-12-21-16-9-11-18-13-16)2-6-15-8-7-14-5-4-10-19-17(14)20-15/h7-8,16,18H,1-6,9-13H2,(H,19,20)/t16-/m1/s1
InChIKeyRMMBGUNRLBDIGO-MRXNPFEDSA-N
XLogP2.53
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[(3R)-pyrrolidin-3-yl]oxypentyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 7-[5-[(3R)-pyrrolidin-3-yl]oxypentyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 146417253) is 7-[5-[(3R)-pyrrolidin-3-yl]oxypentyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 7-[5-[(3R)-pyrrolidin-3-yl]oxypentyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 7-[5-[(3R)-pyrrolidin-3-yl]oxypentyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is c1cc2c(nc1CCCCCO[C@@H]1CCNC1)NCCC2.
What is the InChIKey of 7-[5-[(3R)-pyrrolidin-3-yl]oxypentyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is RMMBGUNRLBDIGO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H27N3O/c1(3-12-21-16-9-11-18-13-16)2-6-15-8-7-14-5-4-10-19-17(14)20-15/h7-8,16,18H,1-6,9-13H2,(H,19,20)/t16-/m1/s1.
What are the key properties of 7-[5-[(3R)-pyrrolidin-3-yl]oxypentyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
7-[5-[(3R)-pyrrolidin-3-yl]oxypentyl]-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 289.42 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(3R)-pyrrolidin-3-yl]oxypentyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 146417253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).