N-[(5-bromothiophen-3-yl)methyl]-4-chloro-N-methylpyridine-3-carboxamide

C12H10BrClN2OS — CID 81226605

IUPACN-[(5-bromothiophen-3-yl)methyl]-4-chloro-N-methylpyridine-3-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1cnccc1Cl
InChIInChI=1S/C12H10BrClN2OS/c1-16(6-8-4-11(13)18-7-8)12(17)9-5-15-3-2-10(9)14/h2-5,7H,6H2,1H3
InChIKeyVFUBLGPOGQQXSY-UHFFFAOYSA-N
MW345.65 g/mol
LogP3.83
Rot. Bonds3

About N-[(5-bromothiophen-3-yl)methyl]-4-chloro-N-methylpyridine-3-carboxamide

N-[(5-bromothiophen-3-yl)methyl]-4-chloro-N-methylpyridine-3-carboxamide (PubChem CID 81226605) has the molecular formula C12H10BrClN2OS and a molecular weight of 345.65 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-4-chloro-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-4-chloro-N-methylpyridine-3-carboxamide
PubChem CID81226605
Molecular FormulaC12H10BrClN2OS
Molecular Weight345.65 g/mol
Exact Mass343.94
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-4-chloro-N-methylpyridine-3-carboxamide
SMILESCN(Cc1csc(Br)c1)C(=O)c1cnccc1Cl
InChIInChI=1S/C12H10BrClN2OS/c1-16(6-8-4-11(13)18-7-8)12(17)9-5-15-3-2-10(9)14/h2-5,7H,6H2,1H3
InChIKeyVFUBLGPOGQQXSY-UHFFFAOYSA-N
XLogP3.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.65
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-2,5-dichloro-N-methylbenzamide
CID 47389181
4-[(5-bromothiophen-3-yl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81244059
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide
CID 106685074
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-5-sulfanylbenzamide
CID 107025971
4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81225270
2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
CID 103754914
N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide
CID 82883457
4-bromo-N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methylbenzamide
CID 81295413
2-amino-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
CID 62186650
N-[(5-bromothiophen-3-yl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220862
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide
CID 65307667
N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide
CID 54984032

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-4-chloro-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-4-chloro-N-methylpyridine-3-carboxamide (CID 81226605) is N-[(5-bromothiophen-3-yl)methyl]-4-chloro-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-4-chloro-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-4-chloro-N-methylpyridine-3-carboxamide is CN(Cc1csc(Br)c1)C(=O)c1cnccc1Cl.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-4-chloro-N-methylpyridine-3-carboxamide?
The InChIKey is VFUBLGPOGQQXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2OS/c1-16(6-8-4-11(13)18-7-8)12(17)9-5-15-3-2-10(9)14/h2-5,7H,6H2,1H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-4-chloro-N-methylpyridine-3-carboxamide?
N-[(5-bromothiophen-3-yl)methyl]-4-chloro-N-methylpyridine-3-carboxamide has a molecular weight of 345.65 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-4-chloro-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 81226605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).