2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide

C14H15BrN2OS — CID 103755734

IUPAC2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(Cc1cccs1)N(C)C(=O)c1ccnc(Br)c1
InChIInChI=1S/C14H15BrN2OS/c1-10(8-12-4-3-7-19-12)17(2)14(18)11-5-6-16-13(15)9-11/h3-7,9-10H,8H2,1-2H3
InChIKeyJTOSQQXJYIIBOP-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.61
Rot. Bonds4

About 2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide

2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 103755734) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
PubChem CID103755734
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(Cc1cccs1)N(C)C(=O)c1ccnc(Br)c1
InChIInChI=1S/C14H15BrN2OS/c1-10(8-12-4-3-7-19-12)17(2)14(18)11-5-6-16-13(15)9-11/h3-7,9-10H,8H2,1-2H3
InChIKeyJTOSQQXJYIIBOP-UHFFFAOYSA-N
XLogP3.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 103752713
2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 113255783
4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
CID 79488943
4-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79470906
5-chloro-N-methyl-6-(methylamino)-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 79489198
4-hydrazinyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79487999
2-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 79494174
methyl 5-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]carbamoyl]furan-3-carboxylate
CID 97306358
6-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-2-carboxamide
CID 113323652
3-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 115673134
3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 79493993
4-bromo-N-methyl-1-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrrole-2-carboxamide
CID 79491715

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide (CID 103755734) is 2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide is CC(Cc1cccs1)N(C)C(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is JTOSQQXJYIIBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-10(8-12-4-3-7-19-12)17(2)14(18)11-5-6-16-13(15)9-11/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide?
2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide has a molecular weight of 339.26 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 103755734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).