N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide

C16H16ClN3O3 — CID 2985430

IUPACN-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
SMILESO=C(COc1ccccc1Cl)NCCNC(=O)c1cccnc1
InChIInChI=1S/C16H16ClN3O3/c17-13-5-1-2-6-14(13)23-11-15(21)19-8-9-20-16(22)12-4-3-7-18-10-12/h1-7,10H,8-9,11H2,(H,19,21)(H,20,22)
InChIKeyIJRZJABSWOQNLB-UHFFFAOYSA-N
MW333.77 g/mol
LogP1.66
Rot. Bonds7

About N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide

N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide (PubChem CID 2985430) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.77 g/mol. Its IUPAC name is N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
PubChem CID2985430
Molecular FormulaC16H16ClN3O3
Molecular Weight333.77 g/mol
Exact Mass333.09
IUPAC NameN-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
SMILESO=C(COc1ccccc1Cl)NCCNC(=O)c1cccnc1
InChIInChI=1S/C16H16ClN3O3/c17-13-5-1-2-6-14(13)23-11-15(21)19-8-9-20-16(22)12-4-3-7-18-10-12/h1-7,10H,8-9,11H2,(H,19,21)(H,20,22)
InChIKeyIJRZJABSWOQNLB-UHFFFAOYSA-N
XLogP1.66
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Picafibrate
CID 68773
2-(2,4-Dichlorophenoxy)-3-pyridinecarboxamide
CID 2727464
2-(2,4-dichlorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 3829743
N-[4-(2-Chloro-benzyloxy)-phenyl]-nicotinamide
CID 803928
N'-[2-(2,4-dichlorophenoxy)acetyl]pyridine-3-carbohydrazide
CID 836901
6-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 2090615
N-[2-(4-chlorophenyl)ethyl]-2-ethoxypyridine-3-carboxamide
CID 2481263
Ethyl 2-({[2-(4-chlorophenoxy)-3-pyridyl]carbonyl}amino)acetate
CID 2801062
N-[2-(2-m-Tolyloxy-acetylamino)-ethyl]-isonicotinamide
CID 2985154
N-[3-(2-p-Tolyloxy-acetylamino)-propyl]-isonicotinamide
CID 2987207
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide
CID 2988519
N-[3-(2-p-Tolyloxy-acetylamino)-propyl]-nicotinamide
CID 2988570

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide (CID 2985430) is N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide is O=C(COc1ccccc1Cl)NCCNC(=O)c1cccnc1.
What is the InChIKey of N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide?
The InChIKey is IJRZJABSWOQNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c17-13-5-1-2-6-14(13)23-11-15(21)19-8-9-20-16(22)12-4-3-7-18-10-12/h1-7,10H,8-9,11H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide?
N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide has a molecular weight of 333.77 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 2985430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).