N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide

C17H18ClN3O3 — CID 51101417

IUPACN-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide
SMILESCCOc1ccc(Cl)c(C(=O)NC(Cc2ccccc2)C(N)=O)n1
InChIInChI=1S/C17H18ClN3O3/c1-2-24-14-9-8-12(18)15(21-14)17(23)20-13(16(19)22)10-11-6-4-3-5-7-11/h3-9,13H,2,10H2,1H3,(H2,19,22)(H,20,23)
InChIKeyPVLOKJGALQNXJW-UHFFFAOYSA-N
MW347.80 g/mol
LogP1.96
Rot. Bonds7

About N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide (PubChem CID 51101417) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide
PubChem CID51101417
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide
SMILESCCOc1ccc(Cl)c(C(=O)NC(Cc2ccccc2)C(N)=O)n1
InChIInChI=1S/C17H18ClN3O3/c1-2-24-14-9-8-12(18)15(21-14)17(23)20-13(16(19)22)10-11-6-4-3-5-7-11/h3-9,13H,2,10H2,1H3,(H2,19,22)(H,20,23)
InChIKeyPVLOKJGALQNXJW-UHFFFAOYSA-N
XLogP1.96
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide?
The IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide (CID 51101417) is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide?
The canonical SMILES for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide is CCOc1ccc(Cl)c(C(=O)NC(Cc2ccccc2)C(N)=O)n1.
What is the InChIKey of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide?
The InChIKey is PVLOKJGALQNXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-2-24-14-9-8-12(18)15(21-14)17(23)20-13(16(19)22)10-11-6-4-3-5-7-11/h3-9,13H,2,10H2,1H3,(H2,19,22)(H,20,23).
What are the key properties of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide?
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide has a molecular weight of 347.80 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-6-ethoxypyridine-2-carboxamide is sourced from PubChem (CID 51101417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).