2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide

C13H12Cl2N2OS — CID 61150801

IUPAC2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C13H12Cl2N2OS/c1-8(4-9-2-3-19-7-9)16-13(18)10-5-11(14)17-12(15)6-10/h2-3,5-8H,4H2,1H3,(H,16,18)
InChIKeyCMHQUIRDWJVFHQ-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.81
Rot. Bonds4

About 2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide

2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 61150801) has the molecular formula C13H12Cl2N2OS and a molecular weight of 315.23 g/mol. Its IUPAC name is 2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
PubChem CID61150801
Molecular FormulaC13H12Cl2N2OS
Molecular Weight315.23 g/mol
Exact Mass314.00
IUPAC Name2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C13H12Cl2N2OS/c1-8(4-9-2-3-19-7-9)16-13(18)10-5-11(14)17-12(15)6-10/h2-3,5-8H,4H2,1H3,(H,16,18)
InChIKeyCMHQUIRDWJVFHQ-UHFFFAOYSA-N
XLogP3.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61473727
N-[(2S)-1-thiophen-3-ylpropan-2-yl]-2H-benzotriazole-5-carboxamide
CID 94194343
4-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 62177548
6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 61151193
2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 114923012
1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide
CID 75390351
3-[(2,6-dichloropyridine-4-carbonyl)amino]butanoic acid
CID 103602717
4-amino-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 62186482
6-bromo-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 103889839
5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 63748666
2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 61475052
2,4-diamino-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61471843

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide (CID 61150801) is 2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide is CC(Cc1ccsc1)NC(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is CMHQUIRDWJVFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2OS/c1-8(4-9-2-3-19-7-9)16-13(18)10-5-11(14)17-12(15)6-10/h2-3,5-8H,4H2,1H3,(H,16,18).
What are the key properties of 2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide?
2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide has a molecular weight of 315.23 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 61150801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).