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

C17H27N3O — CID 146417288

IUPAC2-methyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCC1CCc2ccc(CCCCO[C@@H]3CCNC3)nc2N1
InChIInChI=1S/C17H27N3O/c1-13-5-6-14-7-8-15(20-17(14)19-13)4-2-3-11-21-16-9-10-18-12-16/h7-8,13,16,18H,2-6,9-12H2,1H3,(H,19,20)/t13?,16-/m1/s1
InChIKeyVMJHSSRUWVJRRC-FQNRMIAFSA-N
MW289.42 g/mol
LogP2.53
Rot. Bonds6

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

2-methyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 146417288) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-methyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name2-methyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID146417288
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-methyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCC1CCc2ccc(CCCCO[C@@H]3CCNC3)nc2N1
InChIInChI=1S/C17H27N3O/c1-13-5-6-14-7-8-15(20-17(14)19-13)4-2-3-11-21-16-9-10-18-12-16/h7-8,13,16,18H,2-6,9-12H2,1H3,(H,19,20)/t13?,16-/m1/s1
InChIKeyVMJHSSRUWVJRRC-FQNRMIAFSA-N
XLogP2.53
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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 2-methyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 2-methyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 146417288) is 2-methyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 2-methyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 2-methyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is CC1CCc2ccc(CCCCO[C@@H]3CCNC3)nc2N1.
What is the InChIKey of 2-methyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is VMJHSSRUWVJRRC-FQNRMIAFSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-5-6-14-7-8-15(20-17(14)19-13)4-2-3-11-21-16-9-10-18-12-16/h7-8,13,16,18H,2-6,9-12H2,1H3,(H,19,20)/t13?,16-/m1/s1.
What are the key properties of 2-methyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
2-methyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 289.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 146417288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).