2-methoxy-5-oxo-6-(3-pyrrolidin-1-ylpropyl)-1,6-naphthyridine-3-carbonitrile

C17H20N4O2 — CID 56708651

IUPAC2-methoxy-5-oxo-6-(3-pyrrolidin-1-ylpropyl)-1,6-naphthyridine-3-carbonitrile
SMILESCOc1nc2ccn(CCCN3CCCC3)c(=O)c2cc1C#N
InChIInChI=1S/C17H20N4O2/c1-23-16-13(12-18)11-14-15(19-16)5-10-21(17(14)22)9-4-8-20-6-2-3-7-20/h5,10-11H,2-4,6-9H2,1H3
InChIKeyGGDMFBNTTHUKNJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.76
Rot. Bonds5

About 2-methoxy-5-oxo-6-(3-pyrrolidin-1-ylpropyl)-1,6-naphthyridine-3-carbonitrile

2-methoxy-5-oxo-6-(3-pyrrolidin-1-ylpropyl)-1,6-naphthyridine-3-carbonitrile (PubChem CID 56708651) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-methoxy-5-oxo-6-(3-pyrrolidin-1-ylpropyl)-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-5-oxo-6-(3-pyrrolidin-1-ylpropyl)-1,6-naphthyridine-3-carbonitrile
PubChem CID56708651
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-methoxy-5-oxo-6-(3-pyrrolidin-1-ylpropyl)-1,6-naphthyridine-3-carbonitrile
SMILESCOc1nc2ccn(CCCN3CCCC3)c(=O)c2cc1C#N
InChIInChI=1S/C17H20N4O2/c1-23-16-13(12-18)11-14-15(19-16)5-10-21(17(14)22)9-4-8-20-6-2-3-7-20/h5,10-11H,2-4,6-9H2,1H3
InChIKeyGGDMFBNTTHUKNJ-UHFFFAOYSA-N
XLogP1.76
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-oxo-6-(3-pyrrolidin-1-ylpropyl)-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-5-oxo-6-(3-pyrrolidin-1-ylpropyl)-1,6-naphthyridine-3-carbonitrile (CID 56708651) is 2-methoxy-5-oxo-6-(3-pyrrolidin-1-ylpropyl)-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-5-oxo-6-(3-pyrrolidin-1-ylpropyl)-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-5-oxo-6-(3-pyrrolidin-1-ylpropyl)-1,6-naphthyridine-3-carbonitrile is COc1nc2ccn(CCCN3CCCC3)c(=O)c2cc1C#N.
What is the InChIKey of 2-methoxy-5-oxo-6-(3-pyrrolidin-1-ylpropyl)-1,6-naphthyridine-3-carbonitrile?
The InChIKey is GGDMFBNTTHUKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-16-13(12-18)11-14-15(19-16)5-10-21(17(14)22)9-4-8-20-6-2-3-7-20/h5,10-11H,2-4,6-9H2,1H3.
What are the key properties of 2-methoxy-5-oxo-6-(3-pyrrolidin-1-ylpropyl)-1,6-naphthyridine-3-carbonitrile?
2-methoxy-5-oxo-6-(3-pyrrolidin-1-ylpropyl)-1,6-naphthyridine-3-carbonitrile has a molecular weight of 312.37 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-oxo-6-(3-pyrrolidin-1-ylpropyl)-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 56708651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).