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

C20H25N5O — CID 658662

IUPAC3-(benzylamino)-7-ethyl-1-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCCN1CCc2c(C#N)c(NCc3ccccc3)nc(NCCO)c2C1
InChIInChI=1S/C20H25N5O/c1-2-25-10-8-16-17(12-21)19(23-13-15-6-4-3-5-7-15)24-20(18(16)14-25)22-9-11-26/h3-7,26H,2,8-11,13-14H2,1H3,(H2,22,23,24)
InChIKeyXEFHXANTZBMWQK-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.35
Rot. Bonds7

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

3-(benzylamino)-7-ethyl-1-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 658662) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-(benzylamino)-7-ethyl-1-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(benzylamino)-7-ethyl-1-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID658662
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name3-(benzylamino)-7-ethyl-1-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCCN1CCc2c(C#N)c(NCc3ccccc3)nc(NCCO)c2C1
InChIInChI=1S/C20H25N5O/c1-2-25-10-8-16-17(12-21)19(23-13-15-6-4-3-5-7-15)24-20(18(16)14-25)22-9-11-26/h3-7,26H,2,8-11,13-14H2,1H3,(H2,22,23,24)
InChIKeyXEFHXANTZBMWQK-UHFFFAOYSA-N
XLogP2.35
TPSA84.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-7-ethyl-1-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 3-(benzylamino)-7-ethyl-1-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 658662) is 3-(benzylamino)-7-ethyl-1-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 3-(benzylamino)-7-ethyl-1-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 3-(benzylamino)-7-ethyl-1-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is CCN1CCc2c(C#N)c(NCc3ccccc3)nc(NCCO)c2C1.
What is the InChIKey of 3-(benzylamino)-7-ethyl-1-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is XEFHXANTZBMWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-2-25-10-8-16-17(12-21)19(23-13-15-6-4-3-5-7-15)24-20(18(16)14-25)22-9-11-26/h3-7,26H,2,8-11,13-14H2,1H3,(H2,22,23,24).
What are the key properties of 3-(benzylamino)-7-ethyl-1-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
3-(benzylamino)-7-ethyl-1-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 351.45 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-7-ethyl-1-(2-hydroxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 658662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).