7-benzyl-3-(diethylamino)-1-(2-methoxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C23H31N5O — CID 4886736

IUPAC7-benzyl-3-(diethylamino)-1-(2-methoxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCCN(CC)c1nc(NCCOC)c2c(c1C#N)CCN(Cc1ccccc1)C2
InChIInChI=1S/C23H31N5O/c1-4-28(5-2)23-20(15-24)19-11-13-27(16-18-9-7-6-8-10-18)17-21(19)22(26-23)25-12-14-29-3/h6-10H,4-5,11-14,16-17H2,1-3H3,(H,25,26)
InChIKeyNFMXBRWHDRRSNR-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.42
Rot. Bonds9

About 7-benzyl-3-(diethylamino)-1-(2-methoxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

7-benzyl-3-(diethylamino)-1-(2-methoxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 4886736) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is 7-benzyl-3-(diethylamino)-1-(2-methoxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name7-benzyl-3-(diethylamino)-1-(2-methoxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID4886736
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name7-benzyl-3-(diethylamino)-1-(2-methoxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCCN(CC)c1nc(NCCOC)c2c(c1C#N)CCN(Cc1ccccc1)C2
InChIInChI=1S/C23H31N5O/c1-4-28(5-2)23-20(15-24)19-11-13-27(16-18-9-7-6-8-10-18)17-21(19)22(26-23)25-12-14-29-3/h6-10H,4-5,11-14,16-17H2,1-3H3,(H,25,26)
InChIKeyNFMXBRWHDRRSNR-UHFFFAOYSA-N
XLogP3.42
TPSA64.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-3-(diethylamino)-1-(2-methoxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 7-benzyl-3-(diethylamino)-1-(2-methoxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 4886736) is 7-benzyl-3-(diethylamino)-1-(2-methoxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 7-benzyl-3-(diethylamino)-1-(2-methoxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 7-benzyl-3-(diethylamino)-1-(2-methoxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is CCN(CC)c1nc(NCCOC)c2c(c1C#N)CCN(Cc1ccccc1)C2.
What is the InChIKey of 7-benzyl-3-(diethylamino)-1-(2-methoxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is NFMXBRWHDRRSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-4-28(5-2)23-20(15-24)19-11-13-27(16-18-9-7-6-8-10-18)17-21(19)22(26-23)25-12-14-29-3/h6-10H,4-5,11-14,16-17H2,1-3H3,(H,25,26).
What are the key properties of 7-benzyl-3-(diethylamino)-1-(2-methoxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
7-benzyl-3-(diethylamino)-1-(2-methoxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 393.54 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-3-(diethylamino)-1-(2-methoxyethylamino)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 4886736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).