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

C17H18ClN3O3 — CID 6456892

IUPACN-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-4-carboxamide
SMILESO=C(COc1ccc(Cl)cc1)NCCCNC(=O)c1ccncc1
InChIInChI=1S/C17H18ClN3O3/c18-14-2-4-15(5-3-14)24-12-16(22)20-8-1-9-21-17(23)13-6-10-19-11-7-13/h2-7,10-11H,1,8-9,12H2,(H,20,22)(H,21,23)
InChIKeySVCDOCLLTJGENP-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.05
Rot. Bonds8

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

N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-4-carboxamide (PubChem CID 6456892) 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-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-4-carboxamide
PubChem CID6456892
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC NameN-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-4-carboxamide
SMILESO=C(COc1ccc(Cl)cc1)NCCCNC(=O)c1ccncc1
InChIInChI=1S/C17H18ClN3O3/c18-14-2-4-15(5-3-14)24-12-16(22)20-8-1-9-21-17(23)13-6-10-19-11-7-13/h2-7,10-11H,1,8-9,12H2,(H,20,22)(H,21,23)
InChIKeySVCDOCLLTJGENP-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

Picafibrate
CID 68773
Nlx204; nlx204
CID 132256735
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CID 132257041
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[(5-fluoro-2-pyridinyl)oxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132257105
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[4-(trifluoromethyl)pyridin-2-yl]oxyethylamino]methyl]piperidin-1-yl]methanone
CID 132257123
2-(4-Methylphenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 717251
2-(2-methylphenoxy)-N-(3-pyridinylmethyl)propanamide
CID 2977532
2-(2,4-dichlorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 3829743
2-(4-Chloro-3-methyl-phenoxy)-N-pyridin-4-yl-acetamide
CID 831713
4-(2,4-dichlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide
CID 1830297
2-[(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 2524533
2-(4-chlorophenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 2572372

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-4-carboxamide (CID 6456892) is N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-4-carboxamide is O=C(COc1ccc(Cl)cc1)NCCCNC(=O)c1ccncc1.
What is the InChIKey of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-4-carboxamide?
The InChIKey is SVCDOCLLTJGENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c18-14-2-4-15(5-3-14)24-12-16(22)20-8-1-9-21-17(23)13-6-10-19-11-7-13/h2-7,10-11H,1,8-9,12H2,(H,20,22)(H,21,23).
What are the key properties of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-4-carboxamide?
N-[3-[[2-(4-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-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-4-carboxamide is sourced from PubChem (CID 6456892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).