2-methoxy-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-1,6-naphthyridine-3-carbonitrile

C17H20N4O2 — CID 56710050

IUPAC2-methoxy-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-1,6-naphthyridine-3-carbonitrile
SMILESCOc1nc2ccn(CCC3CCCN3C)c(=O)c2cc1C#N
InChIInChI=1S/C17H20N4O2/c1-20-7-3-4-13(20)5-8-21-9-6-15-14(17(21)22)10-12(11-18)16(19-15)23-2/h6,9-10,13H,3-5,7-8H2,1-2H3
InChIKeyOYQREZNOFIRJHD-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.76
Rot. Bonds4

About 2-methoxy-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-1,6-naphthyridine-3-carbonitrile

2-methoxy-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-1,6-naphthyridine-3-carbonitrile (PubChem CID 56710050) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-methoxy-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-1,6-naphthyridine-3-carbonitrile
PubChem CID56710050
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-methoxy-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-1,6-naphthyridine-3-carbonitrile
SMILESCOc1nc2ccn(CCC3CCCN3C)c(=O)c2cc1C#N
InChIInChI=1S/C17H20N4O2/c1-20-7-3-4-13(20)5-8-21-9-6-15-14(17(21)22)10-12(11-18)16(19-15)23-2/h6,9-10,13H,3-5,7-8H2,1-2H3
InChIKeyOYQREZNOFIRJHD-UHFFFAOYSA-N
XLogP1.76
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
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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Related Compounds

2-methoxy-5-oxo-6-(3-pyrrolidin-1-ylpropyl)-1,6-naphthyridine-3-carbonitrile
CID 56708651
N-[2-(3-cyano-2-methoxy-5-oxo-1,6-naphthyridin-6-yl)ethyl]-N-methylmethanesulfonamide
CID 56705924
1-[2-(1-methylpiperidin-2-yl)ethyl]indole-4-carbonitrile
CID 107919142
5-amino-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carbonitrile
CID 61100632
(4aR,13bS)-11-methoxy-4-methyl-8-oxo-2,3,4a,5,6,13b-hexahydro-1H-1,6-naphthyridino[5,6-b]quinazoline-10-carbonitrile
CID 176751943
5-methyl-1-[2-(1-methylpyrrolidin-2-yl)ethyl]indole
CID 123227825
2-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,6-naphthyridin-3-yl]acetonitrile
CID 171413253
4-methoxy-6-[4-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-1-yl]quinazoline
CID 126894851
7,8-dimethyl-3-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]quinazolin-4-one
CID 39830800
2-(3-methoxypropyl)-8-(2-morpholin-4-ylethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 43864994
3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 102823660
5-methoxy-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole
CID 154694298

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-1,6-naphthyridine-3-carbonitrile (CID 56710050) is 2-methoxy-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-1,6-naphthyridine-3-carbonitrile is COc1nc2ccn(CCC3CCCN3C)c(=O)c2cc1C#N.
What is the InChIKey of 2-methoxy-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-1,6-naphthyridine-3-carbonitrile?
The InChIKey is OYQREZNOFIRJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-20-7-3-4-13(20)5-8-21-9-6-15-14(17(21)22)10-12(11-18)16(19-15)23-2/h6,9-10,13H,3-5,7-8H2,1-2H3.
What are the key properties of 2-methoxy-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-1,6-naphthyridine-3-carbonitrile?
2-methoxy-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-1,6-naphthyridine-3-carbonitrile has a molecular weight of 312.37 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-oxo-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 56710050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).