N-[3-[2-(4-propan-2-ylphenoxy)propanoylamino]propyl]pyridine-3-carboxamide

C21H27N3O3 — CID 108926615

IUPACN-[3-[2-(4-propan-2-ylphenoxy)propanoylamino]propyl]pyridine-3-carboxamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)NCCCNC(=O)c1cccnc1
InChIInChI=1S/C21H27N3O3/c1-15(2)17-7-9-19(10-8-17)27-16(3)20(25)23-12-5-13-24-21(26)18-6-4-11-22-14-18/h4,6-11,14-16H,5,12-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyIWEXYMHMQHBVKD-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.91
Rot. Bonds9

About N-[3-[2-(4-propan-2-ylphenoxy)propanoylamino]propyl]pyridine-3-carboxamide

N-[3-[2-(4-propan-2-ylphenoxy)propanoylamino]propyl]pyridine-3-carboxamide (PubChem CID 108926615) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[3-[2-(4-propan-2-ylphenoxy)propanoylamino]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-propan-2-ylphenoxy)propanoylamino]propyl]pyridine-3-carboxamide
PubChem CID108926615
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[3-[2-(4-propan-2-ylphenoxy)propanoylamino]propyl]pyridine-3-carboxamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)NCCCNC(=O)c1cccnc1
InChIInChI=1S/C21H27N3O3/c1-15(2)17-7-9-19(10-8-17)27-16(3)20(25)23-12-5-13-24-21(26)18-6-4-11-22-14-18/h4,6-11,14-16H,5,12-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyIWEXYMHMQHBVKD-UHFFFAOYSA-N
XLogP2.91
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.91
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

2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 25236333
2-(4-propan-2-ylphenoxy)-N-[2-[2-(4-propan-2-ylphenoxy)propanoylamino]ethyl]propanamide
CID 4954241
N-pentyl-2-(4-propan-2-ylphenoxy)propanamide
CID 64763482
N-[2-(methylamino)ethyl]-2-pyridin-3-yloxypropanamide
CID 119503233
N-[2-[[2-(4-chlorophenoxy)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108925952
N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]pyridine-3-carboxamide
CID 113058717
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride
CID 119526338
N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17205110
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide
CID 108926648
3-[2-(4-propan-2-ylphenoxy)propanoylamino]-N-propylbenzamide
CID 17222714
N-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethyl]pyridine-4-carboxamide
CID 108539918

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-propan-2-ylphenoxy)propanoylamino]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[2-(4-propan-2-ylphenoxy)propanoylamino]propyl]pyridine-3-carboxamide (CID 108926615) is N-[3-[2-(4-propan-2-ylphenoxy)propanoylamino]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[2-(4-propan-2-ylphenoxy)propanoylamino]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[2-(4-propan-2-ylphenoxy)propanoylamino]propyl]pyridine-3-carboxamide is CC(Oc1ccc(C(C)C)cc1)C(=O)NCCCNC(=O)c1cccnc1.
What is the InChIKey of N-[3-[2-(4-propan-2-ylphenoxy)propanoylamino]propyl]pyridine-3-carboxamide?
The InChIKey is IWEXYMHMQHBVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15(2)17-7-9-19(10-8-17)27-16(3)20(25)23-12-5-13-24-21(26)18-6-4-11-22-14-18/h4,6-11,14-16H,5,12-13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[2-(4-propan-2-ylphenoxy)propanoylamino]propyl]pyridine-3-carboxamide?
N-[3-[2-(4-propan-2-ylphenoxy)propanoylamino]propyl]pyridine-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-propan-2-ylphenoxy)propanoylamino]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).