N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-3-carboxamide

C17H18ClN3O3 — CID 2988361

IUPACN-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-3-carboxamide
SMILESO=C(COc1ccc(Cl)cc1)NCCCNC(=O)c1cccnc1
InChIInChI=1S/C17H18ClN3O3/c18-14-4-6-15(7-5-14)24-12-16(22)20-9-2-10-21-17(23)13-3-1-8-19-11-13/h1,3-8,11H,2,9-10,12H2,(H,20,22)(H,21,23)
InChIKeyAGQSXRVUXIMXHH-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.05
Rot. Bonds8

About N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-3-carboxamide

N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-3-carboxamide (PubChem CID 2988361) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-3-carboxamide
PubChem CID2988361
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC NameN-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-3-carboxamide
SMILESO=C(COc1ccc(Cl)cc1)NCCCNC(=O)c1cccnc1
InChIInChI=1S/C17H18ClN3O3/c18-14-4-6-15(7-5-14)24-12-16(22)20-9-2-10-21-17(23)13-3-1-8-19-11-13/h1,3-8,11H,2,9-10,12H2,(H,20,22)(H,21,23)
InChIKeyAGQSXRVUXIMXHH-UHFFFAOYSA-N
XLogP2.05
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.05
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

Etofibrate
CID 65777
Ronifibrate
CID 68671
2-(4-Chlorophenoxy)nicotinamide
CID 2774902
Picafibrate
CID 68773
(6-(4-Chlorophenoxy)pyridin-3-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methanone
CID 24771420
Nlx204; nlx204
CID 132256735
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[(4-fluoro-2-pyridinyl)oxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132257041
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[(5-fluoro-2-pyridinyl)oxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132257105
2-(2,4-Dichlorophenoxy)-3-pyridinecarboxamide
CID 2727464
2-(2,4-dichlorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 3829743
2-Chloro-N-(4-methoxyphenyl)-3-pyridinecarboxamide
CID 840301
2-(3-Chlorophenoxy)nicotinamide
CID 1211466

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-3-carboxamide (CID 2988361) is N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-3-carboxamide is O=C(COc1ccc(Cl)cc1)NCCCNC(=O)c1cccnc1.
What is the InChIKey of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-3-carboxamide?
The InChIKey is AGQSXRVUXIMXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c18-14-4-6-15(7-5-14)24-12-16(22)20-9-2-10-21-17(23)13-3-1-8-19-11-13/h1,3-8,11H,2,9-10,12H2,(H,20,22)(H,21,23).
What are the key properties of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-3-carboxamide?
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-3-carboxamide has a molecular weight of 347.80 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 2988361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).