5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide

C21H20Cl2N2O2S — CID 16626042

IUPAC5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cnc(Cl)c(Cl)c2)C(C)Cc2cccs2)cc1
InChIInChI=1S/C21H20Cl2N2O2S/c1-14(10-18-4-3-9-28-18)25(13-15-5-7-17(27-2)8-6-15)21(26)16-11-19(22)20(23)24-12-16/h3-9,11-12,14H,10,13H2,1-2H3
InChIKeyOOLZWRFYUAOMCO-UHFFFAOYSA-N
MW435.38 g/mol
LogP5.73
Rot. Bonds7

About 5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide

5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide (PubChem CID 16626042) has the molecular formula C21H20Cl2N2O2S and a molecular weight of 435.38 g/mol. Its IUPAC name is 5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
PubChem CID16626042
Molecular FormulaC21H20Cl2N2O2S
Molecular Weight435.38 g/mol
Exact Mass434.06
IUPAC Name5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cnc(Cl)c(Cl)c2)C(C)Cc2cccs2)cc1
InChIInChI=1S/C21H20Cl2N2O2S/c1-14(10-18-4-3-9-28-18)25(13-15-5-7-17(27-2)8-6-15)21(26)16-11-19(22)20(23)24-12-16/h3-9,11-12,14H,10,13H2,1-2H3
InChIKeyOOLZWRFYUAOMCO-UHFFFAOYSA-N
XLogP5.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.38
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-oxo-N-(1-thiophen-2-ylpropan-2-yl)-4H-1,4-benzothiazine-6-carboxamide
CID 42907866
5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631233
N-[(4-chlorophenyl)methyl]-4-propan-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2402599
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 9012728
5-chloro-N-methyl-6-(methylamino)-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 79489198
N-[(4-chlorophenyl)methyl]-3,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]butanamide
CID 2370945
N-[(4-methoxyphenyl)methyl]-2,2-dioxo-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 25499243
N-[(4-methoxyphenyl)methyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 33279598
N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 8564779
2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-(propylcarbamoyl)acetamide
CID 24587570
[2-[(4-methoxyphenyl)methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8550945
N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-N-(2,4,5-trichlorophenyl)acetamide
CID 162666509

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide (CID 16626042) is 5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide is COc1ccc(CN(C(=O)c2cnc(Cl)c(Cl)c2)C(C)Cc2cccs2)cc1.
What is the InChIKey of 5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide?
The InChIKey is OOLZWRFYUAOMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2S/c1-14(10-18-4-3-9-28-18)25(13-15-5-7-17(27-2)8-6-15)21(26)16-11-19(22)20(23)24-12-16/h3-9,11-12,14H,10,13H2,1-2H3.
What are the key properties of 5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide?
5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide has a molecular weight of 435.38 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 16626042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).