N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide

C16H16ClN3O3 — CID 2987479

IUPACN-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
SMILESO=C(COc1ccccc1Cl)NCCNC(=O)c1ccncc1
InChIInChI=1S/C16H16ClN3O3/c17-13-3-1-2-4-14(13)23-11-15(21)19-9-10-20-16(22)12-5-7-18-8-6-12/h1-8H,9-11H2,(H,19,21)(H,20,22)
InChIKeyWBRMQGIFARMNOY-UHFFFAOYSA-N
MW333.77 g/mol
LogP1.66
Rot. Bonds7

About N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide

N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide (PubChem CID 2987479) 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-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
PubChem CID2987479
Molecular FormulaC16H16ClN3O3
Molecular Weight333.77 g/mol
Exact Mass333.09
IUPAC NameN-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
SMILESO=C(COc1ccccc1Cl)NCCNC(=O)c1ccncc1
InChIInChI=1S/C16H16ClN3O3/c17-13-3-1-2-4-14(13)23-11-15(21)19-9-10-20-16(22)12-5-7-18-8-6-12/h1-8H,9-11H2,(H,19,21)(H,20,22)
InChIKeyWBRMQGIFARMNOY-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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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide (CID 2987479) is N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide is O=C(COc1ccccc1Cl)NCCNC(=O)c1ccncc1.
What is the InChIKey of N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide?
The InChIKey is WBRMQGIFARMNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c17-13-3-1-2-4-14(13)23-11-15(21)19-9-10-20-16(22)12-5-7-18-8-6-12/h1-8H,9-11H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide?
N-[2-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]pyridine-4-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-4-carboxamide is sourced from PubChem (CID 2987479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).