2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide

C21H21N3O3 — CID 46470469

IUPAC2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
SMILESCC(NC(=O)Cn1ccccc1=O)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C21H21N3O3/c1-16(23-20(25)14-24-12-3-2-6-21(24)26)18-7-9-19(10-8-18)27-15-17-5-4-11-22-13-17/h2-13,16H,14-15H2,1H3,(H,23,25)
InChIKeyYLAHFDSTVDQTRD-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.70
Rot. Bonds7

About 2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide

2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide (PubChem CID 46470469) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
PubChem CID46470469
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
SMILESCC(NC(=O)Cn1ccccc1=O)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C21H21N3O3/c1-16(23-20(25)14-24-12-3-2-6-21(24)26)18-7-9-19(10-8-18)27-15-17-5-4-11-22-13-17/h2-13,16H,14-15H2,1H3,(H,23,25)
InChIKeyYLAHFDSTVDQTRD-UHFFFAOYSA-N
XLogP2.70
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 51943853
2-(2-phenylethoxy)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 86871872
N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55838629
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 55717842
N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide
CID 55693376
2-(2,3-dihydro-1H-inden-1-yl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 86955542
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]propanamide
CID 55693153
2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 46463730
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]propanamide
CID 46463459
2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 55967852
5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 55692986
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 46470535

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide (CID 46470469) is 2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide is CC(NC(=O)Cn1ccccc1=O)c1ccc(OCc2cccnc2)cc1.
What is the InChIKey of 2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide?
The InChIKey is YLAHFDSTVDQTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-16(23-20(25)14-24-12-3-2-6-21(24)26)18-7-9-19(10-8-18)27-15-17-5-4-11-22-13-17/h2-13,16H,14-15H2,1H3,(H,23,25).
What are the key properties of 2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide?
2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 46470469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).