methyl 2-propyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate

C13H18N2O2 — CID 141442013

IUPACmethyl 2-propyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate
SMILESCCCc1nc2c(cc1C(=O)OC)CNCC2
InChIInChI=1S/C13H18N2O2/c1-3-4-12-10(13(16)17-2)7-9-8-14-6-5-11(9)15-12/h7,14H,3-6,8H2,1-2H3
InChIKeyUTUBFGNNPZLWDL-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.47
Rot. Bonds3

About methyl 2-propyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate

methyl 2-propyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate (PubChem CID 141442013) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl 2-propyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-propyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate
PubChem CID141442013
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namemethyl 2-propyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate
SMILESCCCc1nc2c(cc1C(=O)OC)CNCC2
InChIInChI=1S/C13H18N2O2/c1-3-4-12-10(13(16)17-2)7-9-8-14-6-5-11(9)15-12/h7,14H,3-6,8H2,1-2H3
InChIKeyUTUBFGNNPZLWDL-UHFFFAOYSA-N
XLogP1.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylate
CID 116533140
ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate;hydrochloride
CID 68822583
1-(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone
CID 105444993
1-(2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone
CID 105464586
methyl 2-oxo-5,6,7,8-tetrahydro-1H-1,6-naphthyridine-3-carboxylate
CID 52987735
methyl 2-(methoxymethyl)-5-oxo-7,8-dihydro-6H-1,6-naphthyridine-3-carboxylate
CID 141442004
7-O-tert-butyl 6-O-methyl 1,2,3,4-tetrahydroisoquinoline-6,7-dicarboxylate
CID 167735324
methyl 6-(aminomethyl)-2-propylpyridine-3-carboxylate
CID 71758644
6-methyl-2-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 116533203
methyl 7-fluoro-1,2,3,4-tetrahydroisoquinoline-5-carboxylate
CID 138987651
methyl 1,2,3,4-tetrahydroisoquinoline-8-carboxylate
CID 45074001
8-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine
CID 82471113

Frequently Asked Questions

What is the IUPAC name of methyl 2-propyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate?
The IUPAC name of methyl 2-propyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate (CID 141442013) is methyl 2-propyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 2-propyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 2-propyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate is CCCc1nc2c(cc1C(=O)OC)CNCC2.
What is the InChIKey of methyl 2-propyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate?
The InChIKey is UTUBFGNNPZLWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-4-12-10(13(16)17-2)7-9-8-14-6-5-11(9)15-12/h7,14H,3-6,8H2,1-2H3.
What are the key properties of methyl 2-propyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate?
methyl 2-propyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-propyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 141442013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).