ethyl [2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-pyridin-2-yl-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate

C25H32N4O4 — CID 70489509

IUPACethyl [2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-pyridin-2-yl-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate
SMILESCCOC(=O)OC1=C(C)Nc2ccn(CCCN3CCCCC3)c(=O)c2C1c1ccccn1
InChIInChI=1S/C25H32N4O4/c1-3-32-25(31)33-23-18(2)27-20-11-17-29(16-9-15-28-13-7-4-8-14-28)24(30)22(20)21(23)19-10-5-6-12-26-19/h5-6,10-12,17,21,27H,3-4,7-9,13-16H2,1-2H3
InChIKeyKOVKTSSLSVSANP-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.08
Rot. Bonds7

About ethyl [2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-pyridin-2-yl-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate

ethyl [2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-pyridin-2-yl-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate (PubChem CID 70489509) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is ethyl [2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-pyridin-2-yl-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate.

Molecular Properties

Compound Nameethyl [2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-pyridin-2-yl-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate
PubChem CID70489509
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Nameethyl [2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-pyridin-2-yl-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate
SMILESCCOC(=O)OC1=C(C)Nc2ccn(CCCN3CCCCC3)c(=O)c2C1c1ccccn1
InChIInChI=1S/C25H32N4O4/c1-3-32-25(31)33-23-18(2)27-20-11-17-29(16-9-15-28-13-7-4-8-14-28)24(30)22(20)21(23)19-10-5-6-12-26-19/h5-6,10-12,17,21,27H,3-4,7-9,13-16H2,1-2H3
InChIKeyKOVKTSSLSVSANP-UHFFFAOYSA-N
XLogP4.08
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl [2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-pyridin-2-yl-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate?
The IUPAC name of ethyl [2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-pyridin-2-yl-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate (CID 70489509) is ethyl [2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-pyridin-2-yl-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate.
What is the SMILES notation for ethyl [2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-pyridin-2-yl-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate?
The canonical SMILES for ethyl [2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-pyridin-2-yl-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate is CCOC(=O)OC1=C(C)Nc2ccn(CCCN3CCCCC3)c(=O)c2C1c1ccccn1.
What is the InChIKey of ethyl [2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-pyridin-2-yl-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate?
The InChIKey is KOVKTSSLSVSANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-3-32-25(31)33-23-18(2)27-20-11-17-29(16-9-15-28-13-7-4-8-14-28)24(30)22(20)21(23)19-10-5-6-12-26-19/h5-6,10-12,17,21,27H,3-4,7-9,13-16H2,1-2H3.
What are the key properties of ethyl [2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-pyridin-2-yl-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate?
ethyl [2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-pyridin-2-yl-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate has a molecular weight of 452.56 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [2-methyl-5-oxo-6-(3-piperidin-1-ylpropyl)-4-pyridin-2-yl-1,4-dihydro-1,6-naphthyridin-3-yl] carbonate is sourced from PubChem (CID 70489509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).