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

C14H15ClN2OS — CID 79493993

IUPAC3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(Cc1cccs1)N(C)C(=O)c1ccncc1Cl
InChIInChI=1S/C14H15ClN2OS/c1-10(8-11-4-3-7-19-11)17(2)14(18)12-5-6-16-9-13(12)15/h3-7,9-10H,8H2,1-2H3
InChIKeyPTCVMQZVTYHDER-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.50
Rot. Bonds4

About 3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide

3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 79493993) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
PubChem CID79493993
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(Cc1cccs1)N(C)C(=O)c1ccncc1Cl
InChIInChI=1S/C14H15ClN2OS/c1-10(8-11-4-3-7-19-11)17(2)14(18)12-5-6-16-9-13(12)15/h3-7,9-10H,8H2,1-2H3
InChIKeyPTCVMQZVTYHDER-UHFFFAOYSA-N
XLogP3.50
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 115673134
3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide
CID 104555833
2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 113255783
2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79493991
3-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 115667187
5-chloro-N-methyl-6-(methylamino)-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 79489198
2-iodo-N,3-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 103722067
4-hydroxy-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 103865710
4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
CID 79488943
2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 103755734
4-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79470906
6-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-2-carboxamide
CID 113323652

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide (CID 79493993) is 3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide is CC(Cc1cccs1)N(C)C(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is PTCVMQZVTYHDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-10(8-11-4-3-7-19-11)17(2)14(18)12-5-6-16-9-13(12)15/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide?
3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide has a molecular weight of 294.81 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 79493993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).