7-ethyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C19H27N5O2 — CID 627101

IUPAC7-ethyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCCN1CCc2c(C#N)c(N3CCOCC3)nc(N3CCOCC3)c2C1
InChIInChI=1S/C19H27N5O2/c1-2-22-4-3-15-16(13-20)18(23-5-9-25-10-6-23)21-19(17(15)14-22)24-7-11-26-12-8-24/h2-12,14H2,1H3
InChIKeyCANDJMZQDPZIOD-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.00
Rot. Bonds3

About 7-ethyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

7-ethyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 627101) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 7-ethyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name7-ethyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID627101
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name7-ethyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCCN1CCc2c(C#N)c(N3CCOCC3)nc(N3CCOCC3)c2C1
InChIInChI=1S/C19H27N5O2/c1-2-22-4-3-15-16(13-20)18(23-5-9-25-10-6-23)21-19(17(15)14-22)24-7-11-26-12-8-24/h2-12,14H2,1H3
InChIKeyCANDJMZQDPZIOD-UHFFFAOYSA-N
XLogP1.00
TPSA64.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 7-ethyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 627101) is 7-ethyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 7-ethyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 7-ethyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is CCN1CCc2c(C#N)c(N3CCOCC3)nc(N3CCOCC3)c2C1.
What is the InChIKey of 7-ethyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is CANDJMZQDPZIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-2-22-4-3-15-16(13-20)18(23-5-9-25-10-6-23)21-19(17(15)14-22)24-7-11-26-12-8-24/h2-12,14H2,1H3.
What are the key properties of 7-ethyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
7-ethyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 357.46 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,3-dimorpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 627101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).