N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide

C26H31N3O3S — CID 60543504

IUPACN-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide
SMILESCCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cccnc1N1CCCCC1
InChIInChI=1S/C26H31N3O3S/c1-3-28(26(30)22-10-7-13-27-25(22)29-14-5-4-6-15-29)18-20-11-12-23(24(17-20)31-2)32-19-21-9-8-16-33-21/h7-13,16-17H,3-6,14-15,18-19H2,1-2H3
InChIKeyZKYOQRCEXAFQJZ-UHFFFAOYSA-N
MW465.62 g/mol
LogP5.38
Rot. Bonds9

About N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide

N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 60543504) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide
PubChem CID60543504
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC NameN-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide
SMILESCCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cccnc1N1CCCCC1
InChIInChI=1S/C26H31N3O3S/c1-3-28(26(30)22-10-7-13-27-25(22)29-14-5-4-6-15-29)18-20-11-12-23(24(17-20)31-2)32-19-21-9-8-16-33-21/h7-13,16-17H,3-6,14-15,18-19H2,1-2H3
InChIKeyZKYOQRCEXAFQJZ-UHFFFAOYSA-N
XLogP5.38
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.62
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
CID 27863365
2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
CID 55372221
N,N,N'-triethyl-N'-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanediamide
CID 56522009
2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide
CID 84577154
ethyl 6-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55630835
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119690288
2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide
CID 119271670
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
CID 31339187
3-(2,5-dimethoxyphenyl)-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propanamide
CID 38021262
3-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propanamide
CID 55543953
N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]acetamide
CID 43055510
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 31339075

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide (CID 60543504) is N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide is CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cccnc1N1CCCCC1.
What is the InChIKey of N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is ZKYOQRCEXAFQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-3-28(26(30)22-10-7-13-27-25(22)29-14-5-4-6-15-29)18-20-11-12-23(24(17-20)31-2)32-19-21-9-8-16-33-21/h7-13,16-17H,3-6,14-15,18-19H2,1-2H3.
What are the key properties of N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide?
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 465.62 g/mol, XLogP of 5.38, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 60543504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).