benzyl carbamate;cyclopentane;1,2,3,4-tetrahydro-1,5-naphthyridine

C21H29N3O2 — CID 176699799

IUPACbenzyl carbamate;cyclopentane;1,2,3,4-tetrahydro-1,5-naphthyridine
SMILESC1CCCC1.NC(=O)OCc1ccccc1.c1cnc2c(c1)NCCC2
InChIInChI=1S/C8H10N2.C8H9NO2.C5H10/c1-3-7-8(9-5-1)4-2-6-10-7;9-8(10)11-6-7-4-2-1-3-5-7;1-2-4-5-3-1/h1,3,5,10H,2,4,6H2;1-5H,6H2,(H2,9,10);1-5H2
InChIKeyHATQMPLJGFIYDA-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.67
Rot. Bonds2

About benzyl carbamate;cyclopentane;1,2,3,4-tetrahydro-1,5-naphthyridine

benzyl carbamate;cyclopentane;1,2,3,4-tetrahydro-1,5-naphthyridine (PubChem CID 176699799) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is benzyl carbamate;cyclopentane;1,2,3,4-tetrahydro-1,5-naphthyridine.

Molecular Properties

Compound Namebenzyl carbamate;cyclopentane;1,2,3,4-tetrahydro-1,5-naphthyridine
PubChem CID176699799
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Namebenzyl carbamate;cyclopentane;1,2,3,4-tetrahydro-1,5-naphthyridine
SMILESC1CCCC1.NC(=O)OCc1ccccc1.c1cnc2c(c1)NCCC2
InChIInChI=1S/C8H10N2.C8H9NO2.C5H10/c1-3-7-8(9-5-1)4-2-6-10-7;9-8(10)11-6-7-4-2-1-3-5-7;1-2-4-5-3-1/h1,3,5,10H,2,4,6H2;1-5H,6H2,(H2,9,10);1-5H2
InChIKeyHATQMPLJGFIYDA-UHFFFAOYSA-N
XLogP4.67
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl carbamate;cyclopentane;1,2,3,4-tetrahydro-1,5-naphthyridine?
The IUPAC name of benzyl carbamate;cyclopentane;1,2,3,4-tetrahydro-1,5-naphthyridine (CID 176699799) is benzyl carbamate;cyclopentane;1,2,3,4-tetrahydro-1,5-naphthyridine.
What is the SMILES notation for benzyl carbamate;cyclopentane;1,2,3,4-tetrahydro-1,5-naphthyridine?
The canonical SMILES for benzyl carbamate;cyclopentane;1,2,3,4-tetrahydro-1,5-naphthyridine is C1CCCC1.NC(=O)OCc1ccccc1.c1cnc2c(c1)NCCC2.
What is the InChIKey of benzyl carbamate;cyclopentane;1,2,3,4-tetrahydro-1,5-naphthyridine?
The InChIKey is HATQMPLJGFIYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2.C8H9NO2.C5H10/c1-3-7-8(9-5-1)4-2-6-10-7;9-8(10)11-6-7-4-2-1-3-5-7;1-2-4-5-3-1/h1,3,5,10H,2,4,6H2;1-5H,6H2,(H2,9,10);1-5H2.
What are the key properties of benzyl carbamate;cyclopentane;1,2,3,4-tetrahydro-1,5-naphthyridine?
benzyl carbamate;cyclopentane;1,2,3,4-tetrahydro-1,5-naphthyridine has a molecular weight of 355.48 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl carbamate;cyclopentane;1,2,3,4-tetrahydro-1,5-naphthyridine is sourced from PubChem (CID 176699799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).