cyclopropylmethyl 2,3,4,5-tetrahydro-1H-1,6-naphthyridine-6-carboxylate

C13H18N2O2 — CID 176657297

IUPACcyclopropylmethyl 2,3,4,5-tetrahydro-1H-1,6-naphthyridine-6-carboxylate
SMILESO=C(OCC1CC1)N1C=CC2=C(CCCN2)C1
InChIInChI=1S/C13H18N2O2/c16-13(17-9-10-3-4-10)15-7-5-12-11(8-15)2-1-6-14-12/h5,7,10,14H,1-4,6,8-9H2
InChIKeyNAHGEMDWQVPAIA-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.00
Rot. Bonds2

About cyclopropylmethyl 2,3,4,5-tetrahydro-1H-1,6-naphthyridine-6-carboxylate

cyclopropylmethyl 2,3,4,5-tetrahydro-1H-1,6-naphthyridine-6-carboxylate (PubChem CID 176657297) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is cyclopropylmethyl 2,3,4,5-tetrahydro-1H-1,6-naphthyridine-6-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 2,3,4,5-tetrahydro-1H-1,6-naphthyridine-6-carboxylate
PubChem CID176657297
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namecyclopropylmethyl 2,3,4,5-tetrahydro-1H-1,6-naphthyridine-6-carboxylate
SMILESO=C(OCC1CC1)N1C=CC2=C(CCCN2)C1
InChIInChI=1S/C13H18N2O2/c16-13(17-9-10-3-4-10)15-7-5-12-11(8-15)2-1-6-14-12/h5,7,10,14H,1-4,6,8-9H2
InChIKeyNAHGEMDWQVPAIA-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2,3,4,5-tetrahydro-1H-1,6-naphthyridine-6-carboxylate?
The IUPAC name of cyclopropylmethyl 2,3,4,5-tetrahydro-1H-1,6-naphthyridine-6-carboxylate (CID 176657297) is cyclopropylmethyl 2,3,4,5-tetrahydro-1H-1,6-naphthyridine-6-carboxylate.
What is the SMILES notation for cyclopropylmethyl 2,3,4,5-tetrahydro-1H-1,6-naphthyridine-6-carboxylate?
The canonical SMILES for cyclopropylmethyl 2,3,4,5-tetrahydro-1H-1,6-naphthyridine-6-carboxylate is O=C(OCC1CC1)N1C=CC2=C(CCCN2)C1.
What is the InChIKey of cyclopropylmethyl 2,3,4,5-tetrahydro-1H-1,6-naphthyridine-6-carboxylate?
The InChIKey is NAHGEMDWQVPAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13(17-9-10-3-4-10)15-7-5-12-11(8-15)2-1-6-14-12/h5,7,10,14H,1-4,6,8-9H2.
What are the key properties of cyclopropylmethyl 2,3,4,5-tetrahydro-1H-1,6-naphthyridine-6-carboxylate?
cyclopropylmethyl 2,3,4,5-tetrahydro-1H-1,6-naphthyridine-6-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2,3,4,5-tetrahydro-1H-1,6-naphthyridine-6-carboxylate is sourced from PubChem (CID 176657297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).