7-methyl-3-morpholin-4-yl-1-(oxolan-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C19H27N5O2 — CID 4885904

IUPAC7-methyl-3-morpholin-4-yl-1-(oxolan-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCN1CCc2c(C#N)c(N3CCOCC3)nc(NCC3CCCO3)c2C1
InChIInChI=1S/C19H27N5O2/c1-23-5-4-15-16(11-20)19(24-6-9-25-10-7-24)22-18(17(15)13-23)21-12-14-3-2-8-26-14/h14H,2-10,12-13H2,1H3,(H,21,22)
InChIKeyRFPIBVNELAEOQX-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.37
Rot. Bonds4

About 7-methyl-3-morpholin-4-yl-1-(oxolan-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

7-methyl-3-morpholin-4-yl-1-(oxolan-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 4885904) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 7-methyl-3-morpholin-4-yl-1-(oxolan-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name7-methyl-3-morpholin-4-yl-1-(oxolan-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID4885904
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name7-methyl-3-morpholin-4-yl-1-(oxolan-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCN1CCc2c(C#N)c(N3CCOCC3)nc(NCC3CCCO3)c2C1
InChIInChI=1S/C19H27N5O2/c1-23-5-4-15-16(11-20)19(24-6-9-25-10-7-24)22-18(17(15)13-23)21-12-14-3-2-8-26-14/h14H,2-10,12-13H2,1H3,(H,21,22)
InChIKeyRFPIBVNELAEOQX-UHFFFAOYSA-N
XLogP1.37
TPSA73.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-morpholin-4-yl-1-(oxolan-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 7-methyl-3-morpholin-4-yl-1-(oxolan-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 4885904) is 7-methyl-3-morpholin-4-yl-1-(oxolan-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 7-methyl-3-morpholin-4-yl-1-(oxolan-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 7-methyl-3-morpholin-4-yl-1-(oxolan-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is CN1CCc2c(C#N)c(N3CCOCC3)nc(NCC3CCCO3)c2C1.
What is the InChIKey of 7-methyl-3-morpholin-4-yl-1-(oxolan-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is RFPIBVNELAEOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-23-5-4-15-16(11-20)19(24-6-9-25-10-7-24)22-18(17(15)13-23)21-12-14-3-2-8-26-14/h14H,2-10,12-13H2,1H3,(H,21,22).
What are the key properties of 7-methyl-3-morpholin-4-yl-1-(oxolan-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
7-methyl-3-morpholin-4-yl-1-(oxolan-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 357.46 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-morpholin-4-yl-1-(oxolan-2-ylmethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 4885904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).