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

C17H25N5O2 — CID 658426

IUPAC7-ethyl-1-(2-hydroxyethylamino)-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCCN1CCc2c(C#N)c(N3CCOCC3)nc(NCCO)c2C1
InChIInChI=1S/C17H25N5O2/c1-2-21-5-3-13-14(11-18)17(22-6-9-24-10-7-22)20-16(15(13)12-21)19-4-8-23/h23H,2-10,12H2,1H3,(H,19,20)
InChIKeySUFXTEHDBZSQRC-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.57
Rot. Bonds5

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

7-ethyl-1-(2-hydroxyethylamino)-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 658426) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 7-ethyl-1-(2-hydroxyethylamino)-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name7-ethyl-1-(2-hydroxyethylamino)-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID658426
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name7-ethyl-1-(2-hydroxyethylamino)-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCCN1CCc2c(C#N)c(N3CCOCC3)nc(NCCO)c2C1
InChIInChI=1S/C17H25N5O2/c1-2-21-5-3-13-14(11-18)17(22-6-9-24-10-7-22)20-16(15(13)12-21)19-4-8-23/h23H,2-10,12H2,1H3,(H,19,20)
InChIKeySUFXTEHDBZSQRC-UHFFFAOYSA-N
XLogP0.57
TPSA84.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-(2-hydroxyethylamino)-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 7-ethyl-1-(2-hydroxyethylamino)-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 658426) is 7-ethyl-1-(2-hydroxyethylamino)-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 7-ethyl-1-(2-hydroxyethylamino)-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 7-ethyl-1-(2-hydroxyethylamino)-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is CCN1CCc2c(C#N)c(N3CCOCC3)nc(NCCO)c2C1.
What is the InChIKey of 7-ethyl-1-(2-hydroxyethylamino)-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is SUFXTEHDBZSQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-2-21-5-3-13-14(11-18)17(22-6-9-24-10-7-22)20-16(15(13)12-21)19-4-8-23/h23H,2-10,12H2,1H3,(H,19,20).
What are the key properties of 7-ethyl-1-(2-hydroxyethylamino)-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
7-ethyl-1-(2-hydroxyethylamino)-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 331.42 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-(2-hydroxyethylamino)-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 658426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).