N-[2-[[2,2-dicyano-1-(methylamino)ethenyl]amino]ethyl]-5-[(dimethylamino)methyl]furan-2-carboxamide

C15H20N6O2 — CID 3077647

IUPACN-[2-[[2,2-dicyano-1-(methylamino)ethenyl]amino]ethyl]-5-[(dimethylamino)methyl]furan-2-carboxamide
SMILESCNC(NCCNC(=O)c1ccc(CN(C)C)o1)=C(C#N)C#N
InChIInChI=1S/C15H20N6O2/c1-18-14(11(8-16)9-17)19-6-7-20-15(22)13-5-4-12(23-13)10-21(2)3/h4-5,18-19H,6-7,10H2,1-3H3,(H,20,22)
InChIKeyVMQSCNIMUYUGLV-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.14
Rot. Bonds8

About N-[2-[[2,2-dicyano-1-(methylamino)ethenyl]amino]ethyl]-5-[(dimethylamino)methyl]furan-2-carboxamide

N-[2-[[2,2-dicyano-1-(methylamino)ethenyl]amino]ethyl]-5-[(dimethylamino)methyl]furan-2-carboxamide (PubChem CID 3077647) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[2-[[2,2-dicyano-1-(methylamino)ethenyl]amino]ethyl]-5-[(dimethylamino)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2,2-dicyano-1-(methylamino)ethenyl]amino]ethyl]-5-[(dimethylamino)methyl]furan-2-carboxamide
PubChem CID3077647
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-[2-[[2,2-dicyano-1-(methylamino)ethenyl]amino]ethyl]-5-[(dimethylamino)methyl]furan-2-carboxamide
SMILESCNC(NCCNC(=O)c1ccc(CN(C)C)o1)=C(C#N)C#N
InChIInChI=1S/C15H20N6O2/c1-18-14(11(8-16)9-17)19-6-7-20-15(22)13-5-4-12(23-13)10-21(2)3/h4-5,18-19H,6-7,10H2,1-3H3,(H,20,22)
InChIKeyVMQSCNIMUYUGLV-UHFFFAOYSA-N
XLogP0.14
TPSA117.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2,2-dicyano-1-(methylamino)ethenyl]amino]ethyl]-5-[(dimethylamino)methyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2,2-dicyano-1-(methylamino)ethenyl]amino]ethyl]-5-[(dimethylamino)methyl]furan-2-carboxamide (CID 3077647) is N-[2-[[2,2-dicyano-1-(methylamino)ethenyl]amino]ethyl]-5-[(dimethylamino)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2,2-dicyano-1-(methylamino)ethenyl]amino]ethyl]-5-[(dimethylamino)methyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2,2-dicyano-1-(methylamino)ethenyl]amino]ethyl]-5-[(dimethylamino)methyl]furan-2-carboxamide is CNC(NCCNC(=O)c1ccc(CN(C)C)o1)=C(C#N)C#N.
What is the InChIKey of N-[2-[[2,2-dicyano-1-(methylamino)ethenyl]amino]ethyl]-5-[(dimethylamino)methyl]furan-2-carboxamide?
The InChIKey is VMQSCNIMUYUGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-18-14(11(8-16)9-17)19-6-7-20-15(22)13-5-4-12(23-13)10-21(2)3/h4-5,18-19H,6-7,10H2,1-3H3,(H,20,22).
What are the key properties of N-[2-[[2,2-dicyano-1-(methylamino)ethenyl]amino]ethyl]-5-[(dimethylamino)methyl]furan-2-carboxamide?
N-[2-[[2,2-dicyano-1-(methylamino)ethenyl]amino]ethyl]-5-[(dimethylamino)methyl]furan-2-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 0.14, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2,2-dicyano-1-(methylamino)ethenyl]amino]ethyl]-5-[(dimethylamino)methyl]furan-2-carboxamide is sourced from PubChem (CID 3077647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).