ethyl 2-[[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]pyridine-3-carboxylate

C14H15N3O4 — CID 134870264

IUPACethyl 2-[[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)/C(C#N)=C\Nc1ncccc1C(=O)OCC
InChIInChI=1S/C14H15N3O4/c1-3-20-13(18)10(8-15)9-17-12-11(6-5-7-16-12)14(19)21-4-2/h5-7,9H,3-4H2,1-2H3,(H,16,17)/b10-9-
InChIKeyKZBSZXZKIZYKOQ-KTKRTIGZSA-N
MW289.29 g/mol
LogP1.64
Rot. Bonds6

About ethyl 2-[[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]pyridine-3-carboxylate

ethyl 2-[[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]pyridine-3-carboxylate (PubChem CID 134870264) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is ethyl 2-[[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]pyridine-3-carboxylate
PubChem CID134870264
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Nameethyl 2-[[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)/C(C#N)=C\Nc1ncccc1C(=O)OCC
InChIInChI=1S/C14H15N3O4/c1-3-20-13(18)10(8-15)9-17-12-11(6-5-7-16-12)14(19)21-4-2/h5-7,9H,3-4H2,1-2H3,(H,16,17)/b10-9-
InChIKeyKZBSZXZKIZYKOQ-KTKRTIGZSA-N
XLogP1.64
TPSA101.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 2-[[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-[(2-cyano-3-ethoxy-3-oxoprop-1-enyl)amino]pyridine-3-carboxylate
CID 85439756
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 3-[[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-2-pyridinyl]amino]-2-cyanoprop-2-enoate
CID 139776290
ethyl (E)-2-cyano-3-(1H-indazol-3-ylamino)prop-2-enoate
CID 122360524
ethyl (Z)-2-cyano-3-[(5-methyl-2-pyridinyl)amino]prop-2-enoate
CID 6123042
ethyl 2-cyano-3-[(3,5-dimethyl-2-pyridinyl)amino]prop-2-enoate
CID 70591492
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-cyano-3-(2,6-dimethylanilino)prop-2-enoate
CID 70458010
ethyl 2-chloro-4-[[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]benzoate
CID 46231354
ethyl (E)-2-cyano-3-[(6-methyl-2-pyridinyl)amino]prop-2-enoate
CID 8811343
ethyl (E)-2-cyano-3-(3-methyl-2-pyridinyl)prop-2-enoate
CID 167037200
ethyl 2-(1H-pyrrole-2-carbonylamino)pyridine-3-carboxylate
CID 110445359

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]pyridine-3-carboxylate (CID 134870264) is ethyl 2-[[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]pyridine-3-carboxylate is CCOC(=O)/C(C#N)=C\Nc1ncccc1C(=O)OCC.
What is the InChIKey of ethyl 2-[[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]pyridine-3-carboxylate?
The InChIKey is KZBSZXZKIZYKOQ-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-3-20-13(18)10(8-15)9-17-12-11(6-5-7-16-12)14(19)21-4-2/h5-7,9H,3-4H2,1-2H3,(H,16,17)/b10-9-.
What are the key properties of ethyl 2-[[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]pyridine-3-carboxylate?
ethyl 2-[[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]pyridine-3-carboxylate has a molecular weight of 289.29 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 134870264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).