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

C18H27N5O — CID 659395

IUPAC1-(diethylamino)-7-methyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCCN(CC)c1nc(N2CCOCC2)c(C#N)c2c1CN(C)CC2
InChIInChI=1S/C18H27N5O/c1-4-22(5-2)18-16-13-21(3)7-6-14(16)15(12-19)17(20-18)23-8-10-24-11-9-23/h4-11,13H2,1-3H3
InChIKeyNBAPZTQKBHEQEF-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.62
Rot. Bonds4

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

1-(diethylamino)-7-methyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 659395) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-(diethylamino)-7-methyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name1-(diethylamino)-7-methyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID659395
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name1-(diethylamino)-7-methyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCCN(CC)c1nc(N2CCOCC2)c(C#N)c2c1CN(C)CC2
InChIInChI=1S/C18H27N5O/c1-4-22(5-2)18-16-13-21(3)7-6-14(16)15(12-19)17(20-18)23-8-10-24-11-9-23/h4-11,13H2,1-3H3
InChIKeyNBAPZTQKBHEQEF-UHFFFAOYSA-N
XLogP1.62
TPSA55.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-7-methyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 1-(diethylamino)-7-methyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 659395) is 1-(diethylamino)-7-methyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 1-(diethylamino)-7-methyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 1-(diethylamino)-7-methyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is CCN(CC)c1nc(N2CCOCC2)c(C#N)c2c1CN(C)CC2.
What is the InChIKey of 1-(diethylamino)-7-methyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is NBAPZTQKBHEQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-4-22(5-2)18-16-13-21(3)7-6-14(16)15(12-19)17(20-18)23-8-10-24-11-9-23/h4-11,13H2,1-3H3.
What are the key properties of 1-(diethylamino)-7-methyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
1-(diethylamino)-7-methyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 329.45 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-7-methyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 659395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).