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

C17H18ClN3O3 — CID 6456987

IUPACN-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyridine-4-carboxamide
SMILESO=C(COc1ccccc1Cl)NCCCNC(=O)c1ccncc1
InChIInChI=1S/C17H18ClN3O3/c18-14-4-1-2-5-15(14)24-12-16(22)20-8-3-9-21-17(23)13-6-10-19-11-7-13/h1-2,4-7,10-11H,3,8-9,12H2,(H,20,22)(H,21,23)
InChIKeyMKVRUPKEVFJRJH-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.05
Rot. Bonds8

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

N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyridine-4-carboxamide (PubChem CID 6456987) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyridine-4-carboxamide
PubChem CID6456987
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC NameN-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyridine-4-carboxamide
SMILESO=C(COc1ccccc1Cl)NCCCNC(=O)c1ccncc1
InChIInChI=1S/C17H18ClN3O3/c18-14-4-1-2-5-15(14)24-12-16(22)20-8-3-9-21-17(23)13-6-10-19-11-7-13/h1-2,4-7,10-11H,3,8-9,12H2,(H,20,22)(H,21,23)
InChIKeyMKVRUPKEVFJRJH-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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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyridine-4-carboxamide (CID 6456987) is N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyridine-4-carboxamide is O=C(COc1ccccc1Cl)NCCCNC(=O)c1ccncc1.
What is the InChIKey of N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyridine-4-carboxamide?
The InChIKey is MKVRUPKEVFJRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c18-14-4-1-2-5-15(14)24-12-16(22)20-8-3-9-21-17(23)13-6-10-19-11-7-13/h1-2,4-7,10-11H,3,8-9,12H2,(H,20,22)(H,21,23).
What are the key properties of N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyridine-4-carboxamide?
N-[3-[[2-(2-chlorophenoxy)acetyl]amino]propyl]pyridine-4-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-(2-chlorophenoxy)acetyl]amino]propyl]pyridine-4-carboxamide is sourced from PubChem (CID 6456987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).