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

C22H27N5O — CID 658457

IUPAC1-(benzylamino)-7-ethyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCCN1CCc2c(C#N)c(N3CCOCC3)nc(NCc3ccccc3)c2C1
InChIInChI=1S/C22H27N5O/c1-2-26-9-8-18-19(14-23)22(27-10-12-28-13-11-27)25-21(20(18)16-26)24-15-17-6-4-3-5-7-17/h3-7H,2,8-13,15-16H2,1H3,(H,24,25)
InChIKeyPGNAXMOPNHGCQE-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.78
Rot. Bonds5

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

1-(benzylamino)-7-ethyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 658457) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(benzylamino)-7-ethyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name1-(benzylamino)-7-ethyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID658457
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-(benzylamino)-7-ethyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESCCN1CCc2c(C#N)c(N3CCOCC3)nc(NCc3ccccc3)c2C1
InChIInChI=1S/C22H27N5O/c1-2-26-9-8-18-19(14-23)22(27-10-12-28-13-11-27)25-21(20(18)16-26)24-15-17-6-4-3-5-7-17/h3-7H,2,8-13,15-16H2,1H3,(H,24,25)
InChIKeyPGNAXMOPNHGCQE-UHFFFAOYSA-N
XLogP2.78
TPSA64.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(benzylamino)-7-ethyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-7-ethyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 1-(benzylamino)-7-ethyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 658457) is 1-(benzylamino)-7-ethyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 1-(benzylamino)-7-ethyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 1-(benzylamino)-7-ethyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is CCN1CCc2c(C#N)c(N3CCOCC3)nc(NCc3ccccc3)c2C1.
What is the InChIKey of 1-(benzylamino)-7-ethyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is PGNAXMOPNHGCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-2-26-9-8-18-19(14-23)22(27-10-12-28-13-11-27)25-21(20(18)16-26)24-15-17-6-4-3-5-7-17/h3-7H,2,8-13,15-16H2,1H3,(H,24,25).
What are the key properties of 1-(benzylamino)-7-ethyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
1-(benzylamino)-7-ethyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 377.49 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-7-ethyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 658457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).