2-(azepan-1-yl)-N-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetamide

C26H29N3O3 — CID 139794434

IUPAC2-(azepan-1-yl)-N-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetamide
SMILESO=C(CN1CCCCCC1)Nc1ccc(Oc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C26H29N3O3/c30-25(19-29-16-6-1-2-7-17-29)28-22-10-15-26(27-18-22)32-24-13-11-23(12-14-24)31-20-21-8-4-3-5-9-21/h3-5,8-15,18H,1-2,6-7,16-17,19-20H2,(H,28,30)
InChIKeyRJYXVMGOYIBDMH-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.27
Rot. Bonds8

About 2-(azepan-1-yl)-N-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetamide

2-(azepan-1-yl)-N-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetamide (PubChem CID 139794434) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetamide
PubChem CID139794434
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name2-(azepan-1-yl)-N-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetamide
SMILESO=C(CN1CCCCCC1)Nc1ccc(Oc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C26H29N3O3/c30-25(19-29-16-6-1-2-7-17-29)28-22-10-15-26(27-18-22)32-24-13-11-23(12-14-24)31-20-21-8-4-3-5-9-21/h3-5,8-15,18H,1-2,6-7,16-17,19-20H2,(H,28,30)
InChIKeyRJYXVMGOYIBDMH-UHFFFAOYSA-N
XLogP5.27
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyrrolidin-1-yl-N-[6-[4-(thiophen-3-ylmethoxy)phenoxy]-3-pyridinyl]acetamide
CID 11189049
N-[6-[4-[2-(3-fluorophenyl)ethyl]phenoxy]-3-pyridinyl]-2-pyrrolidin-1-ylacetamide
CID 101364635
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
2-(1,4-diazepan-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119905944
2-(4-aminopiperidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119907132
2-(4-phenylmethoxyphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 134035859
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
N-(4-fluorophenyl)-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]acetamide
CID 3783930
N-(2-methyl-4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 3046011
2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoic acid
CID 22484910
N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
CID 155391895
N-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide
CID 54813456

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetamide (CID 139794434) is 2-(azepan-1-yl)-N-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetamide is O=C(CN1CCCCCC1)Nc1ccc(Oc2ccc(OCc3ccccc3)cc2)nc1.
What is the InChIKey of 2-(azepan-1-yl)-N-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetamide?
The InChIKey is RJYXVMGOYIBDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c30-25(19-29-16-6-1-2-7-17-29)28-22-10-15-26(27-18-22)32-24-13-11-23(12-14-24)31-20-21-8-4-3-5-9-21/h3-5,8-15,18H,1-2,6-7,16-17,19-20H2,(H,28,30).
What are the key properties of 2-(azepan-1-yl)-N-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetamide?
2-(azepan-1-yl)-N-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetamide is sourced from PubChem (CID 139794434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).