N-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]morpholine-2-carboxamide

C15H19N5O2 — CID 175306291

IUPACN-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]morpholine-2-carboxamide
SMILESCN(C)/C=N/c1ccc(NC(=O)C2CNCCO2)cc1C#N
InChIInChI=1S/C15H19N5O2/c1-20(2)10-18-13-4-3-12(7-11(13)8-16)19-15(21)14-9-17-5-6-22-14/h3-4,7,10,14,17H,5-6,9H2,1-2H3,(H,19,21)/b18-10+
InChIKeyFOUOSYZYRKKEAN-VCHYOVAHSA-N
MW301.35 g/mol
LogP0.71
Rot. Bonds4

About N-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]morpholine-2-carboxamide

N-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]morpholine-2-carboxamide (PubChem CID 175306291) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]morpholine-2-carboxamide
PubChem CID175306291
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]morpholine-2-carboxamide
SMILESCN(C)/C=N/c1ccc(NC(=O)C2CNCCO2)cc1C#N
InChIInChI=1S/C15H19N5O2/c1-20(2)10-18-13-4-3-12(7-11(13)8-16)19-15(21)14-9-17-5-6-22-14/h3-4,7,10,14,17H,5-6,9H2,1-2H3,(H,19,21)/b18-10+
InChIKeyFOUOSYZYRKKEAN-VCHYOVAHSA-N
XLogP0.71
TPSA89.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(methylamino)urea
CID 143466051
1-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(cyclopropylmethyl)urea
CID 137376594
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-[3-(diethylsulfamoyl)-4-methylphenyl]morpholine-2-carboxamide
CID 119674988
N-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(2-methylcyclohexyl)propanamide
CID 163750506
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
N-[4-[3-(dimethylamino)propanoylamino]phenyl]morpholine-2-carboxamide;dihydrochloride
CID 119868290
N-quinoxalin-6-ylmorpholine-2-carboxamide;hydrochloride
CID 119708415
N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)morpholine-2-carboxamide
CID 119788439
N-(3-chloro-4-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119772470
N-(3,4-dihydro-2H-chromen-6-yl)morpholine-2-carboxamide;hydrochloride
CID 119767367
N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119702027

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]morpholine-2-carboxamide?
The IUPAC name of N-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]morpholine-2-carboxamide (CID 175306291) is N-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]morpholine-2-carboxamide?
The canonical SMILES for N-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]morpholine-2-carboxamide is CN(C)/C=N/c1ccc(NC(=O)C2CNCCO2)cc1C#N.
What is the InChIKey of N-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]morpholine-2-carboxamide?
The InChIKey is FOUOSYZYRKKEAN-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-20(2)10-18-13-4-3-12(7-11(13)8-16)19-15(21)14-9-17-5-6-22-14/h3-4,7,10,14,17H,5-6,9H2,1-2H3,(H,19,21)/b18-10+.
What are the key properties of N-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]morpholine-2-carboxamide?
N-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]morpholine-2-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]morpholine-2-carboxamide is sourced from PubChem (CID 175306291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).