2,2-dimethyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-3,4-dihydro-1H-1,8-naphthyridine

C18H29N3O — CID 146417582

IUPAC2,2-dimethyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-3,4-dihydro-1H-1,8-naphthyridine
SMILESCC1(C)CCc2ccc(CCCCO[C@@H]3CCNC3)nc2N1
InChIInChI=1S/C18H29N3O/c1-18(2)10-8-14-6-7-15(20-17(14)21-18)5-3-4-12-22-16-9-11-19-13-16/h6-7,16,19H,3-5,8-13H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyDWOVNVLFSXVQFI-MRXNPFEDSA-N
MW303.45 g/mol
LogP2.92
Rot. Bonds6

About 2,2-dimethyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-3,4-dihydro-1H-1,8-naphthyridine

2,2-dimethyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-3,4-dihydro-1H-1,8-naphthyridine (PubChem CID 146417582) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2,2-dimethyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-3,4-dihydro-1H-1,8-naphthyridine.

Molecular Properties

Compound Name2,2-dimethyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-3,4-dihydro-1H-1,8-naphthyridine
PubChem CID146417582
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2,2-dimethyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-3,4-dihydro-1H-1,8-naphthyridine
SMILESCC1(C)CCc2ccc(CCCCO[C@@H]3CCNC3)nc2N1
InChIInChI=1S/C18H29N3O/c1-18(2)10-8-14-6-7-15(20-17(14)21-18)5-3-4-12-22-16-9-11-19-13-16/h6-7,16,19H,3-5,8-13H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyDWOVNVLFSXVQFI-MRXNPFEDSA-N
XLogP2.92
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.92
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 2,2-dimethyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-3,4-dihydro-1H-1,8-naphthyridine?
The IUPAC name of 2,2-dimethyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-3,4-dihydro-1H-1,8-naphthyridine (CID 146417582) is 2,2-dimethyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-3,4-dihydro-1H-1,8-naphthyridine.
What is the SMILES notation for 2,2-dimethyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-3,4-dihydro-1H-1,8-naphthyridine?
The canonical SMILES for 2,2-dimethyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-3,4-dihydro-1H-1,8-naphthyridine is CC1(C)CCc2ccc(CCCCO[C@@H]3CCNC3)nc2N1.
What is the InChIKey of 2,2-dimethyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-3,4-dihydro-1H-1,8-naphthyridine?
The InChIKey is DWOVNVLFSXVQFI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H29N3O/c1-18(2)10-8-14-6-7-15(20-17(14)21-18)5-3-4-12-22-16-9-11-19-13-16/h6-7,16,19H,3-5,8-13H2,1-2H3,(H,20,21)/t16-/m1/s1.
What are the key properties of 2,2-dimethyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-3,4-dihydro-1H-1,8-naphthyridine?
2,2-dimethyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-3,4-dihydro-1H-1,8-naphthyridine has a molecular weight of 303.45 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-[4-[(3R)-pyrrolidin-3-yl]oxybutyl]-3,4-dihydro-1H-1,8-naphthyridine is sourced from PubChem (CID 146417582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).