2-(pyridine-3-carbonylamino)ethyl 2-phenylbutanoate

C18H20N2O3 — CID 69106862

IUPAC2-(pyridine-3-carbonylamino)ethyl 2-phenylbutanoate
SMILESCCC(C(=O)OCCNC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-2-16(14-7-4-3-5-8-14)18(22)23-12-11-20-17(21)15-9-6-10-19-13-15/h3-10,13,16H,2,11-12H2,1H3,(H,20,21)
InChIKeyJMGQJFPIVYHDLU-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.55
Rot. Bonds7

About 2-(pyridine-3-carbonylamino)ethyl 2-phenylbutanoate

2-(pyridine-3-carbonylamino)ethyl 2-phenylbutanoate (PubChem CID 69106862) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(pyridine-3-carbonylamino)ethyl 2-phenylbutanoate.

Molecular Properties

Compound Name2-(pyridine-3-carbonylamino)ethyl 2-phenylbutanoate
PubChem CID69106862
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-(pyridine-3-carbonylamino)ethyl 2-phenylbutanoate
SMILESCCC(C(=O)OCCNC(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-2-16(14-7-4-3-5-8-14)18(22)23-12-11-20-17(21)15-9-6-10-19-13-15/h3-10,13,16H,2,11-12H2,1H3,(H,20,21)
InChIKeyJMGQJFPIVYHDLU-UHFFFAOYSA-N
XLogP2.55
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(pyridine-3-carbonylamino)ethyl 2-phenylbutanoate 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

N-(2-phenylpropyl)pyridine-3-carboxamide
CID 46446505
N-[2-[(2-benzhydryloxyacetyl)amino]ethyl]pyridine-3-carboxamide
CID 39577664
2-(pyridine-3-carbonylamino)ethyl 3-methoxybenzoate chloride
CID 21236630
2-(pyridine-3-carbonylamino)ethyl 2-[3-(cyclohexa-1,3-diene-1-carbonyl)phenyl]propanoate
CID 163605343
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-octadecylpyridine-3-carboxamide
CID 3547337
2-phenyl-N-[(E)-1-pyridin-3-ylethylideneamino]butanamide
CID 25237434
(2R)-2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide
CID 26871484
N-(3-cyclopropyl-3-phenylpropyl)pyridine-3-carboxamide
CID 84510606
aminomethyl 2-phenylbutanoate
CID 175260963
2-(pyridine-3-carbonylamino)ethyl nitrate;hydrochloride
CID 3017561

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-3-carbonylamino)ethyl 2-phenylbutanoate?
The IUPAC name of 2-(pyridine-3-carbonylamino)ethyl 2-phenylbutanoate (CID 69106862) is 2-(pyridine-3-carbonylamino)ethyl 2-phenylbutanoate.
What is the SMILES notation for 2-(pyridine-3-carbonylamino)ethyl 2-phenylbutanoate?
The canonical SMILES for 2-(pyridine-3-carbonylamino)ethyl 2-phenylbutanoate is CCC(C(=O)OCCNC(=O)c1cccnc1)c1ccccc1.
What is the InChIKey of 2-(pyridine-3-carbonylamino)ethyl 2-phenylbutanoate?
The InChIKey is JMGQJFPIVYHDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-16(14-7-4-3-5-8-14)18(22)23-12-11-20-17(21)15-9-6-10-19-13-15/h3-10,13,16H,2,11-12H2,1H3,(H,20,21).
What are the key properties of 2-(pyridine-3-carbonylamino)ethyl 2-phenylbutanoate?
2-(pyridine-3-carbonylamino)ethyl 2-phenylbutanoate has a molecular weight of 312.37 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-3-carbonylamino)ethyl 2-phenylbutanoate is sourced from PubChem (CID 69106862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).