ethyl 2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-thiophen-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxylate

C24H31N3O3S — CID 13389017

IUPACethyl 2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-thiophen-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)Nc2ccn(CCCN3CCCCC3)c(=O)c2C1c1cccs1
InChIInChI=1S/C24H31N3O3S/c1-3-30-24(29)20-17(2)25-18-10-15-27(14-8-13-26-11-5-4-6-12-26)23(28)21(18)22(20)19-9-7-16-31-19/h7,9-10,15-16,22,25H,3-6,8,11-14H2,1-2H3
InChIKeyCWZQIAAQCUQXCX-UHFFFAOYSA-N
MW441.60 g/mol
LogP4.18
Rot. Bonds7

About ethyl 2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-thiophen-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxylate

ethyl 2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-thiophen-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxylate (PubChem CID 13389017) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is ethyl 2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-thiophen-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-thiophen-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxylate
PubChem CID13389017
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC Nameethyl 2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-thiophen-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)Nc2ccn(CCCN3CCCCC3)c(=O)c2C1c1cccs1
InChIInChI=1S/C24H31N3O3S/c1-3-30-24(29)20-17(2)25-18-10-15-27(14-8-13-26-11-5-4-6-12-26)23(28)21(18)22(20)19-9-7-16-31-19/h7,9-10,15-16,22,25H,3-6,8,11-14H2,1-2H3
InChIKeyCWZQIAAQCUQXCX-UHFFFAOYSA-N
XLogP4.18
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-thiophen-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-thiophen-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxylate (CID 13389017) is ethyl 2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-thiophen-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-thiophen-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-thiophen-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxylate is CCOC(=O)C1=C(C)Nc2ccn(CCCN3CCCCC3)c(=O)c2C1c1cccs1.
What is the InChIKey of ethyl 2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-thiophen-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxylate?
The InChIKey is CWZQIAAQCUQXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-3-30-24(29)20-17(2)25-18-10-15-27(14-8-13-26-11-5-4-6-12-26)23(28)21(18)22(20)19-9-7-16-31-19/h7,9-10,15-16,22,25H,3-6,8,11-14H2,1-2H3.
What are the key properties of ethyl 2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-thiophen-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxylate?
ethyl 2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-thiophen-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxylate has a molecular weight of 441.60 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-thiophen-2-yl-1,4-dihydro-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 13389017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).