(4R)-6-(2-aminoethyl)-5-isocyano-2,4-dimethyl-1,4-dihydropyridine-3-carbonitrile

C11H14N4 — CID 59763292

IUPAC(4R)-6-(2-aminoethyl)-5-isocyano-2,4-dimethyl-1,4-dihydropyridine-3-carbonitrile
SMILES[C-]#[N+]C1=C(CCN)NC(C)=C(C#N)[C@H]1C
InChIInChI=1S/C11H14N4/c1-7-9(6-13)8(2)15-10(4-5-12)11(7)14-3/h7,15H,4-5,12H2,1-2H3/t7-/m1/s1
InChIKeyGDSGRALPZMNMLY-SSDOTTSWSA-N
MW202.26 g/mol
LogP1.50
Rot. Bonds2

About (4R)-6-(2-aminoethyl)-5-isocyano-2,4-dimethyl-1,4-dihydropyridine-3-carbonitrile

(4R)-6-(2-aminoethyl)-5-isocyano-2,4-dimethyl-1,4-dihydropyridine-3-carbonitrile (PubChem CID 59763292) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is (4R)-6-(2-aminoethyl)-5-isocyano-2,4-dimethyl-1,4-dihydropyridine-3-carbonitrile.

Molecular Properties

Compound Name(4R)-6-(2-aminoethyl)-5-isocyano-2,4-dimethyl-1,4-dihydropyridine-3-carbonitrile
PubChem CID59763292
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name(4R)-6-(2-aminoethyl)-5-isocyano-2,4-dimethyl-1,4-dihydropyridine-3-carbonitrile
SMILES[C-]#[N+]C1=C(CCN)NC(C)=C(C#N)[C@H]1C
InChIInChI=1S/C11H14N4/c1-7-9(6-13)8(2)15-10(4-5-12)11(7)14-3/h7,15H,4-5,12H2,1-2H3/t7-/m1/s1
InChIKeyGDSGRALPZMNMLY-SSDOTTSWSA-N
XLogP1.50
TPSA66.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(r,s)-5-Butyl-2,3-dihydro-1h-pyrrole-3,4-dicarbonitrile
CID 13484528
(3-Cyanopiperidin-2-ylidene)malononitrile
CID 129875946
5-ethyl-2,3-dihydro-1H-pyrrole-3,4-dicarbonitrile
CID 13484527
(4R)-5-isocyano-2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3-carbonitrile
CID 59763287
(4R)-6-tert-butyl-5-isocyano-2,4-dimethyl-1,4-dihydropyridine-3-carbonitrile
CID 59763291
(4R)-2-(2-aminoethyl)-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 67961871
2-(2-Aminoethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 89180306
(Z)-5-methyl-3-(methylamino)-2-propan-2-ylhex-2-enenitrile
CID 143460836
6-Butan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile
CID 12868369
6-Pentan-3-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile
CID 12868370
6-Propan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile
CID 45095796
5-propan-2-yl-2,3-dihydro-1H-pyrrole-3,4-dicarbonitrile
CID 86229510

Frequently Asked Questions

What is the IUPAC name of (4R)-6-(2-aminoethyl)-5-isocyano-2,4-dimethyl-1,4-dihydropyridine-3-carbonitrile?
The IUPAC name of (4R)-6-(2-aminoethyl)-5-isocyano-2,4-dimethyl-1,4-dihydropyridine-3-carbonitrile (CID 59763292) is (4R)-6-(2-aminoethyl)-5-isocyano-2,4-dimethyl-1,4-dihydropyridine-3-carbonitrile.
What is the SMILES notation for (4R)-6-(2-aminoethyl)-5-isocyano-2,4-dimethyl-1,4-dihydropyridine-3-carbonitrile?
The canonical SMILES for (4R)-6-(2-aminoethyl)-5-isocyano-2,4-dimethyl-1,4-dihydropyridine-3-carbonitrile is [C-]#[N+]C1=C(CCN)NC(C)=C(C#N)[C@H]1C.
What is the InChIKey of (4R)-6-(2-aminoethyl)-5-isocyano-2,4-dimethyl-1,4-dihydropyridine-3-carbonitrile?
The InChIKey is GDSGRALPZMNMLY-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N4/c1-7-9(6-13)8(2)15-10(4-5-12)11(7)14-3/h7,15H,4-5,12H2,1-2H3/t7-/m1/s1.
What are the key properties of (4R)-6-(2-aminoethyl)-5-isocyano-2,4-dimethyl-1,4-dihydropyridine-3-carbonitrile?
(4R)-6-(2-aminoethyl)-5-isocyano-2,4-dimethyl-1,4-dihydropyridine-3-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-(2-aminoethyl)-5-isocyano-2,4-dimethyl-1,4-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 59763292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).