4-(3-aminonaphthalene-2-carbonyl)morpholine-2-carbonitrile

C16H15N3O2 — CID 79670203

IUPAC4-(3-aminonaphthalene-2-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cc3ccccc3cc2N)CCO1
InChIInChI=1S/C16H15N3O2/c17-9-13-10-19(5-6-21-13)16(20)14-7-11-3-1-2-4-12(11)8-15(14)18/h1-4,7-8,13H,5-6,10,18H2
InChIKeyPQVDFAGFVLOZKK-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.79
Rot. Bonds1

About 4-(3-aminonaphthalene-2-carbonyl)morpholine-2-carbonitrile

4-(3-aminonaphthalene-2-carbonyl)morpholine-2-carbonitrile (PubChem CID 79670203) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-(3-aminonaphthalene-2-carbonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-aminonaphthalene-2-carbonyl)morpholine-2-carbonitrile
PubChem CID79670203
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name4-(3-aminonaphthalene-2-carbonyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cc3ccccc3cc2N)CCO1
InChIInChI=1S/C16H15N3O2/c17-9-13-10-19(5-6-21-13)16(20)14-7-11-3-1-2-4-12(11)8-15(14)18/h1-4,7-8,13H,5-6,10,18H2
InChIKeyPQVDFAGFVLOZKK-UHFFFAOYSA-N
XLogP1.79
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-4,5-dimethoxybenzoyl)morpholine-2-carbonitrile
CID 79662458
4-(1H-indole-7-carbonyl)morpholine-2-carbonitrile
CID 79035947
4-(4-amino-2-methylbenzoyl)morpholine-2-carbonitrile
CID 79664102
4-(6-aminopyridine-2-carbonyl)morpholine-2-carbonitrile
CID 79675623
4-(2-chloroquinoline-4-carbonyl)morpholine-2-carbonitrile
CID 78945462
4-(2,4-dihydroxybenzoyl)morpholine-2-carbonitrile
CID 103892457
4-(quinoline-2-carbonyl)morpholine-2-carbonitrile
CID 78945922
4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945716
4-(2,4,5-trifluoro-3-hydroxybenzoyl)morpholine-2-carbonitrile
CID 79674344
4-(2-amino-3-nitrobenzoyl)morpholine-2-carbonitrile
CID 115678992
4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile
CID 78945745
4-(2-aminopyridine-4-carbonyl)morpholine-2-carbonitrile
CID 79676652

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminonaphthalene-2-carbonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(3-aminonaphthalene-2-carbonyl)morpholine-2-carbonitrile (CID 79670203) is 4-(3-aminonaphthalene-2-carbonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(3-aminonaphthalene-2-carbonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(3-aminonaphthalene-2-carbonyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)c2cc3ccccc3cc2N)CCO1.
What is the InChIKey of 4-(3-aminonaphthalene-2-carbonyl)morpholine-2-carbonitrile?
The InChIKey is PQVDFAGFVLOZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-9-13-10-19(5-6-21-13)16(20)14-7-11-3-1-2-4-12(11)8-15(14)18/h1-4,7-8,13H,5-6,10,18H2.
What are the key properties of 4-(3-aminonaphthalene-2-carbonyl)morpholine-2-carbonitrile?
4-(3-aminonaphthalene-2-carbonyl)morpholine-2-carbonitrile has a molecular weight of 281.31 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminonaphthalene-2-carbonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79670203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).