N-(1-cyanonaphthalen-2-yl)morpholine-4-carboxamide

C16H15N3O2 — CID 12758540

IUPACN-(1-cyanonaphthalen-2-yl)morpholine-4-carboxamide
SMILESN#Cc1c(NC(=O)N2CCOCC2)ccc2ccccc12
InChIInChI=1S/C16H15N3O2/c17-11-14-13-4-2-1-3-12(13)5-6-15(14)18-16(20)19-7-9-21-10-8-19/h1-6H,7-10H2,(H,18,20)
InChIKeyGLVBKTWLTMHIKP-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.58
Rot. Bonds1

About N-(1-cyanonaphthalen-2-yl)morpholine-4-carboxamide

N-(1-cyanonaphthalen-2-yl)morpholine-4-carboxamide (PubChem CID 12758540) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(1-cyanonaphthalen-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanonaphthalen-2-yl)morpholine-4-carboxamide
PubChem CID12758540
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-(1-cyanonaphthalen-2-yl)morpholine-4-carboxamide
SMILESN#Cc1c(NC(=O)N2CCOCC2)ccc2ccccc12
InChIInChI=1S/C16H15N3O2/c17-11-14-13-4-2-1-3-12(13)5-6-15(14)18-16(20)19-7-9-21-10-8-19/h1-6H,7-10H2,(H,18,20)
InChIKeyGLVBKTWLTMHIKP-UHFFFAOYSA-N
XLogP2.58
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)morpholine-4-carboxamide
CID 4984315
2-morpholin-4-yl-N-naphthalen-1-yl-2-oxoacetamide
CID 7333640
N-(2-methyl-1-oxoisoquinolin-4-yl)morpholine-4-carboxamide
CID 20910160
N-(2-propan-2-ylphenyl)morpholine-4-carboxamide
CID 3684146
N-(2-cyano-3-fluorophenyl)pyrrolidine-1-carboxamide
CID 78954561
4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide
CID 4576172
N-naphthalen-1-yl-4-(4,4,4-trifluorobutanoyl)-1,4-diazepane-1-carboxamide
CID 67493528
2-[2-(1,4-oxazepane-4-carbonylamino)phenoxy]acetic acid
CID 63747234
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
N-(1,3-benzothiazol-2-yl)morpholine-4-carboxamide;thiocyanic acid
CID 172824956
3-(1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carbonyl)benzo[h]chromen-2-one
CID 102583180
N-(2-fluoro-3-methylphenyl)morpholine-4-carboxamide
CID 166178432

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanonaphthalen-2-yl)morpholine-4-carboxamide?
The IUPAC name of N-(1-cyanonaphthalen-2-yl)morpholine-4-carboxamide (CID 12758540) is N-(1-cyanonaphthalen-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(1-cyanonaphthalen-2-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(1-cyanonaphthalen-2-yl)morpholine-4-carboxamide is N#Cc1c(NC(=O)N2CCOCC2)ccc2ccccc12.
What is the InChIKey of N-(1-cyanonaphthalen-2-yl)morpholine-4-carboxamide?
The InChIKey is GLVBKTWLTMHIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-11-14-13-4-2-1-3-12(13)5-6-15(14)18-16(20)19-7-9-21-10-8-19/h1-6H,7-10H2,(H,18,20).
What are the key properties of N-(1-cyanonaphthalen-2-yl)morpholine-4-carboxamide?
N-(1-cyanonaphthalen-2-yl)morpholine-4-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanonaphthalen-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 12758540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).