ethyl 2-[(4-cyano-6-methyl-2-pyridinyl)-propan-2-ylamino]acetate

C14H19N3O2 — CID 114766094

IUPACethyl 2-[(4-cyano-6-methyl-2-pyridinyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(c1cc(C#N)cc(C)n1)C(C)C
InChIInChI=1S/C14H19N3O2/c1-5-19-14(18)9-17(10(2)3)13-7-12(8-15)6-11(4)16-13/h6-7,10H,5,9H2,1-4H3
InChIKeyZVKZXOLQBUAFPU-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.04
Rot. Bonds5

About ethyl 2-[(4-cyano-6-methyl-2-pyridinyl)-propan-2-ylamino]acetate

ethyl 2-[(4-cyano-6-methyl-2-pyridinyl)-propan-2-ylamino]acetate (PubChem CID 114766094) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 2-[(4-cyano-6-methyl-2-pyridinyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-cyano-6-methyl-2-pyridinyl)-propan-2-ylamino]acetate
PubChem CID114766094
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Nameethyl 2-[(4-cyano-6-methyl-2-pyridinyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(c1cc(C#N)cc(C)n1)C(C)C
InChIInChI=1S/C14H19N3O2/c1-5-19-14(18)9-17(10(2)3)13-7-12(8-15)6-11(4)16-13/h6-7,10H,5,9H2,1-4H3
InChIKeyZVKZXOLQBUAFPU-UHFFFAOYSA-N
XLogP2.04
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carbonitrile
CID 114765840
2-[carboxymethyl-(4-cyano-6-methyl-2-pyridinyl)amino]acetic acid
CID 114765403
2-methyl-6-[methyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 114765737
ethyl 2-(2-cyano-5-methyl-N-propan-2-ylanilino)acetate
CID 62308708
2-[bis(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile
CID 114765935
ethyl 2-[propan-2-yl(pyridazin-3-yl)amino]acetate
CID 114998997
methyl 2-[(6-ethoxy-2-methylpyrimidin-4-yl)-propan-2-ylamino]acetate
CID 66331702
2-methyl-6-[methyl(pentan-3-yl)amino]pyridine-4-carbonitrile
CID 114765889
ethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate
CID 107544090
ethyl 2-[(4-carbamothioyl-2-pyridinyl)-propan-2-ylamino]acetate
CID 55007460
ethyl 2-[(5-fluoropyrimidin-2-yl)-propan-2-ylamino]acetate
CID 104606558
ethyl 2-[(3-methylquinoxalin-2-yl)-propan-2-ylamino]acetate
CID 62375691

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-cyano-6-methyl-2-pyridinyl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(4-cyano-6-methyl-2-pyridinyl)-propan-2-ylamino]acetate (CID 114766094) is ethyl 2-[(4-cyano-6-methyl-2-pyridinyl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-cyano-6-methyl-2-pyridinyl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(4-cyano-6-methyl-2-pyridinyl)-propan-2-ylamino]acetate is CCOC(=O)CN(c1cc(C#N)cc(C)n1)C(C)C.
What is the InChIKey of ethyl 2-[(4-cyano-6-methyl-2-pyridinyl)-propan-2-ylamino]acetate?
The InChIKey is ZVKZXOLQBUAFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-5-19-14(18)9-17(10(2)3)13-7-12(8-15)6-11(4)16-13/h6-7,10H,5,9H2,1-4H3.
What are the key properties of ethyl 2-[(4-cyano-6-methyl-2-pyridinyl)-propan-2-ylamino]acetate?
ethyl 2-[(4-cyano-6-methyl-2-pyridinyl)-propan-2-ylamino]acetate has a molecular weight of 261.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-cyano-6-methyl-2-pyridinyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 114766094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).