ethane;formamide;methyl 3-(pyridin-4-ylamino)benzoate

C16H21N3O3 — CID 143301248

IUPACethane;formamide;methyl 3-(pyridin-4-ylamino)benzoate
SMILESCC.COC(=O)c1cccc(Nc2ccncc2)c1.NC=O
InChIInChI=1S/C13H12N2O2.C2H6.CH3NO/c1-17-13(16)10-3-2-4-12(9-10)15-11-5-7-14-8-6-11;1-2;2-1-3/h2-9H,1H3,(H,14,15);1-2H3;1H,(H2,2,3)
InChIKeyNOEMYENELWAAEX-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.74
Rot. Bonds3

About ethane;formamide;methyl 3-(pyridin-4-ylamino)benzoate

ethane;formamide;methyl 3-(pyridin-4-ylamino)benzoate (PubChem CID 143301248) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is ethane;formamide;methyl 3-(pyridin-4-ylamino)benzoate.

Molecular Properties

Compound Nameethane;formamide;methyl 3-(pyridin-4-ylamino)benzoate
PubChem CID143301248
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Nameethane;formamide;methyl 3-(pyridin-4-ylamino)benzoate
SMILESCC.COC(=O)c1cccc(Nc2ccncc2)c1.NC=O
InChIInChI=1S/C13H12N2O2.C2H6.CH3NO/c1-17-13(16)10-3-2-4-12(9-10)15-11-5-7-14-8-6-11;1-2;2-1-3/h2-9H,1H3,(H,14,15);1-2H3;1H,(H2,2,3)
InChIKeyNOEMYENELWAAEX-UHFFFAOYSA-N
XLogP2.74
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethane;formamide;methyl 3-(pyridin-4-ylamino)benzoate 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

[(Z)-but-2-enyl] 3-(pyridin-4-ylamino)benzoate
CID 143301176
methyl 3-[3-(aminomethyl)anilino]benzoate
CID 117027328
methyl 3-(4-pyridin-3-ylanilino)benzoate
CID 164589559
methyl 3-[(Z)-2-pyridin-4-ylethenyl]benzoate
CID 155479516
methyl 3-(pyridin-4-ylmethylcarbamoylamino)benzoate
CID 110706370
methyl 3-(carbamoylamino)benzoate
CID 2822841
methyl 3-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 112860978
methyl 3-[[4-(4-acetylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109222174
methyl 3-pyridin-4-ylbenzoate
CID 5152687
methyl 3-[4-(ethoxycarbonylamino)anilino]benzoate
CID 112988523
methyl 3-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]amino]benzoate
CID 109201433
methyl 3-[[5-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245797

Frequently Asked Questions

What is the IUPAC name of ethane;formamide;methyl 3-(pyridin-4-ylamino)benzoate?
The IUPAC name of ethane;formamide;methyl 3-(pyridin-4-ylamino)benzoate (CID 143301248) is ethane;formamide;methyl 3-(pyridin-4-ylamino)benzoate.
What is the SMILES notation for ethane;formamide;methyl 3-(pyridin-4-ylamino)benzoate?
The canonical SMILES for ethane;formamide;methyl 3-(pyridin-4-ylamino)benzoate is CC.COC(=O)c1cccc(Nc2ccncc2)c1.NC=O.
What is the InChIKey of ethane;formamide;methyl 3-(pyridin-4-ylamino)benzoate?
The InChIKey is NOEMYENELWAAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2.C2H6.CH3NO/c1-17-13(16)10-3-2-4-12(9-10)15-11-5-7-14-8-6-11;1-2;2-1-3/h2-9H,1H3,(H,14,15);1-2H3;1H,(H2,2,3).
What are the key properties of ethane;formamide;methyl 3-(pyridin-4-ylamino)benzoate?
ethane;formamide;methyl 3-(pyridin-4-ylamino)benzoate has a molecular weight of 303.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formamide;methyl 3-(pyridin-4-ylamino)benzoate is sourced from PubChem (CID 143301248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).