methyl 4-(3-amino-2-pyridinyl)but-3-enoate

C10H12N2O2 — CID 170500334

IUPACmethyl 4-(3-amino-2-pyridinyl)but-3-enoate
SMILESCOC(=O)CC=Cc1ncccc1N
InChIInChI=1S/C10H12N2O2/c1-14-10(13)6-2-5-9-8(11)4-3-7-12-9/h2-5,7H,6,11H2,1H3
InChIKeyGIBUAEAFQCPXNK-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.24
Rot. Bonds3

About methyl 4-(3-amino-2-pyridinyl)but-3-enoate

methyl 4-(3-amino-2-pyridinyl)but-3-enoate (PubChem CID 170500334) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is methyl 4-(3-amino-2-pyridinyl)but-3-enoate.

Molecular Properties

Compound Namemethyl 4-(3-amino-2-pyridinyl)but-3-enoate
PubChem CID170500334
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Namemethyl 4-(3-amino-2-pyridinyl)but-3-enoate
SMILESCOC(=O)CC=Cc1ncccc1N
InChIInChI=1S/C10H12N2O2/c1-14-10(13)6-2-5-9-8(11)4-3-7-12-9/h2-5,7H,6,11H2,1H3
InChIKeyGIBUAEAFQCPXNK-UHFFFAOYSA-N
XLogP1.24
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-(3-amino-2-pyridinyl)but-3-enoate 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

methyl 4-(3-methyl-2-pyridinyl)but-3-enoate
CID 170500371
methyl 4-(3-chloro-2-pyridinyl)but-3-enoate
CID 170500349
methyl 4-(3-amino-6-fluoro-2-pyridinyl)but-3-enoate
CID 170500518
methyl 4-(3-nitro-2-pyridinyl)but-3-enoate
CID 170500856
3-(4-methoxy-4-oxobut-1-enyl)pyridine-2-carboxylic acid
CID 170500957
ethyl 4-(3-hydroxy-2-pyridinyl)but-3-enoate
CID 170795623
benzyl N-[3-(3-amino-2-pyridinyl)prop-2-enyl]carbamate
CID 169471041
methyl (E)-4-pyridin-3-ylbut-3-enoate
CID 11513847
methyl 4-(5-amino-6-methyl-3-pyridinyl)but-3-enoate
CID 170500531
2-(4-aminobut-1-enyl)pyridin-3-amine
CID 170486446
methyl 4-(2-amino-3-methylphenyl)but-3-enoate
CID 170500603
methyl 4-(5-methyl-2-pyridinyl)but-3-enoate
CID 170500370

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-amino-2-pyridinyl)but-3-enoate?
The IUPAC name of methyl 4-(3-amino-2-pyridinyl)but-3-enoate (CID 170500334) is methyl 4-(3-amino-2-pyridinyl)but-3-enoate.
What is the SMILES notation for methyl 4-(3-amino-2-pyridinyl)but-3-enoate?
The canonical SMILES for methyl 4-(3-amino-2-pyridinyl)but-3-enoate is COC(=O)CC=Cc1ncccc1N.
What is the InChIKey of methyl 4-(3-amino-2-pyridinyl)but-3-enoate?
The InChIKey is GIBUAEAFQCPXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-14-10(13)6-2-5-9-8(11)4-3-7-12-9/h2-5,7H,6,11H2,1H3.
What are the key properties of methyl 4-(3-amino-2-pyridinyl)but-3-enoate?
methyl 4-(3-amino-2-pyridinyl)but-3-enoate has a molecular weight of 192.22 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-amino-2-pyridinyl)but-3-enoate is sourced from PubChem (CID 170500334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).