4-(3-cyanoanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile

C22H21N7O — CID 69181974

IUPAC4-(3-cyanoanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1cccc(Nc2c(C#N)cnc3cnc(NCCN4CCOCC4)cc23)c1
InChIInChI=1S/C22H21N7O/c23-12-16-2-1-3-18(10-16)28-22-17(13-24)14-26-20-15-27-21(11-19(20)22)25-4-5-29-6-8-30-9-7-29/h1-3,10-11,14-15H,4-9H2,(H,25,27)(H,26,28)
InChIKeyIUXBNURHNHYJTL-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.86
Rot. Bonds6

About 4-(3-cyanoanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile

4-(3-cyanoanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile (PubChem CID 69181974) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 4-(3-cyanoanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-cyanoanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile
PubChem CID69181974
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name4-(3-cyanoanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1cccc(Nc2c(C#N)cnc3cnc(NCCN4CCOCC4)cc23)c1
InChIInChI=1S/C22H21N7O/c23-12-16-2-1-3-18(10-16)28-22-17(13-24)14-26-20-15-27-21(11-19(20)22)25-4-5-29-6-8-30-9-7-29/h1-3,10-11,14-15H,4-9H2,(H,25,27)(H,26,28)
InChIKeyIUXBNURHNHYJTL-UHFFFAOYSA-N
XLogP2.86
TPSA109.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanoanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(3-cyanoanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile (CID 69181974) is 4-(3-cyanoanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-cyanoanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(3-cyanoanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile is N#Cc1cccc(Nc2c(C#N)cnc3cnc(NCCN4CCOCC4)cc23)c1.
What is the InChIKey of 4-(3-cyanoanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile?
The InChIKey is IUXBNURHNHYJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c23-12-16-2-1-3-18(10-16)28-22-17(13-24)14-26-20-15-27-21(11-19(20)22)25-4-5-29-6-8-30-9-7-29/h1-3,10-11,14-15H,4-9H2,(H,25,27)(H,26,28).
What are the key properties of 4-(3-cyanoanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile?
4-(3-cyanoanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile has a molecular weight of 399.46 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanoanilino)-6-(2-morpholin-4-ylethylamino)-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 69181974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).