2-[2-[(3R)-pyrrolidin-3-yl]ethyl]-1,2,3,5,6,7-hexahydro-1,8-naphthyridine

C14H23N3 — CID 178049841

IUPAC2-[2-[(3R)-pyrrolidin-3-yl]ethyl]-1,2,3,5,6,7-hexahydro-1,8-naphthyridine
SMILESC1=C2CCCN=C2NC(CC[C@@H]2CCNC2)C1
InChIInChI=1S/C14H23N3/c1-2-12-4-6-13(17-14(12)16-8-1)5-3-11-7-9-15-10-11/h4,11,13,15H,1-3,5-10H2,(H,16,17)/t11-,13?/m1/s1
InChIKeyIHLRHPZRWHJNOH-JTDNENJMSA-N
MW233.36 g/mol
LogP1.86
Rot. Bonds3

About 2-[2-[(3R)-pyrrolidin-3-yl]ethyl]-1,2,3,5,6,7-hexahydro-1,8-naphthyridine

2-[2-[(3R)-pyrrolidin-3-yl]ethyl]-1,2,3,5,6,7-hexahydro-1,8-naphthyridine (PubChem CID 178049841) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[2-[(3R)-pyrrolidin-3-yl]ethyl]-1,2,3,5,6,7-hexahydro-1,8-naphthyridine.

Molecular Properties

Compound Name2-[2-[(3R)-pyrrolidin-3-yl]ethyl]-1,2,3,5,6,7-hexahydro-1,8-naphthyridine
PubChem CID178049841
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-[2-[(3R)-pyrrolidin-3-yl]ethyl]-1,2,3,5,6,7-hexahydro-1,8-naphthyridine
SMILESC1=C2CCCN=C2NC(CC[C@@H]2CCNC2)C1
InChIInChI=1S/C14H23N3/c1-2-12-4-6-13(17-14(12)16-8-1)5-3-11-7-9-15-10-11/h4,11,13,15H,1-3,5-10H2,(H,16,17)/t11-,13?/m1/s1
InChIKeyIHLRHPZRWHJNOH-JTDNENJMSA-N
XLogP1.86
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-pyrrolidin-3-yl]ethyl]-1,2,3,5,6,7-hexahydro-1,8-naphthyridine?
The IUPAC name of 2-[2-[(3R)-pyrrolidin-3-yl]ethyl]-1,2,3,5,6,7-hexahydro-1,8-naphthyridine (CID 178049841) is 2-[2-[(3R)-pyrrolidin-3-yl]ethyl]-1,2,3,5,6,7-hexahydro-1,8-naphthyridine.
What is the SMILES notation for 2-[2-[(3R)-pyrrolidin-3-yl]ethyl]-1,2,3,5,6,7-hexahydro-1,8-naphthyridine?
The canonical SMILES for 2-[2-[(3R)-pyrrolidin-3-yl]ethyl]-1,2,3,5,6,7-hexahydro-1,8-naphthyridine is C1=C2CCCN=C2NC(CC[C@@H]2CCNC2)C1.
What is the InChIKey of 2-[2-[(3R)-pyrrolidin-3-yl]ethyl]-1,2,3,5,6,7-hexahydro-1,8-naphthyridine?
The InChIKey is IHLRHPZRWHJNOH-JTDNENJMSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-12-4-6-13(17-14(12)16-8-1)5-3-11-7-9-15-10-11/h4,11,13,15H,1-3,5-10H2,(H,16,17)/t11-,13?/m1/s1.
What are the key properties of 2-[2-[(3R)-pyrrolidin-3-yl]ethyl]-1,2,3,5,6,7-hexahydro-1,8-naphthyridine?
2-[2-[(3R)-pyrrolidin-3-yl]ethyl]-1,2,3,5,6,7-hexahydro-1,8-naphthyridine has a molecular weight of 233.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-pyrrolidin-3-yl]ethyl]-1,2,3,5,6,7-hexahydro-1,8-naphthyridine is sourced from PubChem (CID 178049841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).