2-phenoxy-N-[3-(2-phenylethoxy)propyl]pyridine-3-carboxamide

C23H24N2O3 — CID 55889564

IUPAC2-phenoxy-N-[3-(2-phenylethoxy)propyl]pyridine-3-carboxamide
SMILESO=C(NCCCOCCc1ccccc1)c1cccnc1Oc1ccccc1
InChIInChI=1S/C23H24N2O3/c26-22(24-16-8-17-27-18-14-19-9-3-1-4-10-19)21-13-7-15-25-23(21)28-20-11-5-2-6-12-20/h1-7,9-13,15H,8,14,16-18H2,(H,24,26)
InChIKeyRYWVIWQGVJVASN-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.25
Rot. Bonds10

About 2-phenoxy-N-[3-(2-phenylethoxy)propyl]pyridine-3-carboxamide

2-phenoxy-N-[3-(2-phenylethoxy)propyl]pyridine-3-carboxamide (PubChem CID 55889564) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-phenoxy-N-[3-(2-phenylethoxy)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-phenoxy-N-[3-(2-phenylethoxy)propyl]pyridine-3-carboxamide
PubChem CID55889564
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-phenoxy-N-[3-(2-phenylethoxy)propyl]pyridine-3-carboxamide
SMILESO=C(NCCCOCCc1ccccc1)c1cccnc1Oc1ccccc1
InChIInChI=1S/C23H24N2O3/c26-22(24-16-8-17-27-18-14-19-9-3-1-4-10-19)21-13-7-15-25-23(21)28-20-11-5-2-6-12-20/h1-7,9-13,15H,8,14,16-18H2,(H,24,26)
InChIKeyRYWVIWQGVJVASN-UHFFFAOYSA-N
XLogP4.25
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)-2-phenoxypyridine-3-carboxamide
CID 24512570
2-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
CID 119944824
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-phenoxypyridine-3-carboxamide
CID 55723951
2-phenoxy-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 35138227
5-bromo-N-[3-(2-phenylethoxy)propyl]furan-2-carboxamide
CID 47060838
N-[[(2S)-oxolan-2-yl]methyl]-2-phenoxypyridine-3-carboxamide
CID 32688545
2-hydrazinyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 62237813
2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 39576822
N-[2-(4-phenoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10295933
3-(3-methoxypropyl)-1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]urea
CID 53185077
N-(2-benzylpyrazol-3-yl)-2-phenoxypyridine-3-carboxamide
CID 8890850
tert-butyl N-[4-oxo-4-(2-phenoxy-3-pyridinyl)butyl]carbamate
CID 102539566

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[3-(2-phenylethoxy)propyl]pyridine-3-carboxamide?
The IUPAC name of 2-phenoxy-N-[3-(2-phenylethoxy)propyl]pyridine-3-carboxamide (CID 55889564) is 2-phenoxy-N-[3-(2-phenylethoxy)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-phenoxy-N-[3-(2-phenylethoxy)propyl]pyridine-3-carboxamide?
The canonical SMILES for 2-phenoxy-N-[3-(2-phenylethoxy)propyl]pyridine-3-carboxamide is O=C(NCCCOCCc1ccccc1)c1cccnc1Oc1ccccc1.
What is the InChIKey of 2-phenoxy-N-[3-(2-phenylethoxy)propyl]pyridine-3-carboxamide?
The InChIKey is RYWVIWQGVJVASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c26-22(24-16-8-17-27-18-14-19-9-3-1-4-10-19)21-13-7-15-25-23(21)28-20-11-5-2-6-12-20/h1-7,9-13,15H,8,14,16-18H2,(H,24,26).
What are the key properties of 2-phenoxy-N-[3-(2-phenylethoxy)propyl]pyridine-3-carboxamide?
2-phenoxy-N-[3-(2-phenylethoxy)propyl]pyridine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[3-(2-phenylethoxy)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 55889564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).