methyl 6-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-2-carboxylate

C19H20N2O4 — CID 170494480

IUPACmethyl 6-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C=CCCNC(=O)OCc2ccccc2)n1
InChIInChI=1S/C19H20N2O4/c1-24-18(22)17-12-7-11-16(21-17)10-5-6-13-20-19(23)25-14-15-8-3-2-4-9-15/h2-5,7-12H,6,13-14H2,1H3,(H,20,23)
InChIKeyMOWTVMFTKAAXBS-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.20
Rot. Bonds7

About methyl 6-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-2-carboxylate

methyl 6-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-2-carboxylate (PubChem CID 170494480) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 6-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-2-carboxylate
PubChem CID170494480
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namemethyl 6-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C=CCCNC(=O)OCc2ccccc2)n1
InChIInChI=1S/C19H20N2O4/c1-24-18(22)17-12-7-11-16(21-17)10-5-6-13-20-19(23)25-14-15-8-3-2-4-9-15/h2-5,7-12H,6,13-14H2,1H3,(H,20,23)
InChIKeyMOWTVMFTKAAXBS-UHFFFAOYSA-N
XLogP3.20
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 6-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-2-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

methyl 5-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyrimidine-2-carboxylate
CID 170494391
benzyl N-[4-(3-trimethylsilylphenyl)but-3-enyl]carbamate
CID 170494266
benzyl N-[4-(6-acetyl-3-pyridinyl)but-3-enyl]carbamate
CID 170494132
benzyl N-[4-(5-hydroxy-6-nitro-2-pyridinyl)but-3-enyl]carbamate
CID 170494416
benzyl N-[4-(4-chloro-2-pyridinyl)but-3-enyl]carbamate
CID 170493488
2-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-4-carboxylic acid
CID 170494109
4-[4-(phenylmethoxycarbonylamino)but-1-enyl]-1,3-thiazole-2-carboxylate
CID 170493778
methyl 6-amino-5-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-3-carboxylate
CID 170494649
benzyl N-[4-[2-(2-oxopropyl)phenyl]but-3-enyl]carbamate
CID 170494360
3-[4-(phenylmethoxycarbonylamino)but-1-enyl]benzoic acid
CID 170493876
methyl 6-(3-acetamidoprop-1-enyl)pyridine-2-carboxylate
CID 169465889
benzyl N-[4-(2-amino-3-methylphenyl)but-3-enyl]carbamate
CID 170493750

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-2-carboxylate (CID 170494480) is methyl 6-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-2-carboxylate is COC(=O)c1cccc(C=CCCNC(=O)OCc2ccccc2)n1.
What is the InChIKey of methyl 6-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-2-carboxylate?
The InChIKey is MOWTVMFTKAAXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-24-18(22)17-12-7-11-16(21-17)10-5-6-13-20-19(23)25-14-15-8-3-2-4-9-15/h2-5,7-12H,6,13-14H2,1H3,(H,20,23).
What are the key properties of methyl 6-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-2-carboxylate?
methyl 6-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-2-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-2-carboxylate is sourced from PubChem (CID 170494480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).