2-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide

C12H11BrN2OS — CID 103752450

IUPAC2-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cccnc2Br)s1
InChIInChI=1S/C12H11BrN2OS/c1-8-4-5-9(17-8)7-15-12(16)10-3-2-6-14-11(10)13/h2-6H,7H2,1H3,(H,15,16)
InChIKeyPXWPWNBCARMNSI-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.14
Rot. Bonds3

About 2-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide

2-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 103752450) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is 2-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
PubChem CID103752450
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name2-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cccnc2Br)s1
InChIInChI=1S/C12H11BrN2OS/c1-8-4-5-9(17-8)7-15-12(16)10-3-2-6-14-11(10)13/h2-6H,7H2,1H3,(H,15,16)
InChIKeyPXWPWNBCARMNSI-UHFFFAOYSA-N
XLogP3.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.14
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

2-bromo-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 113255164
2-(methylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 62179696
2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 103752820
2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103755664
6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 47043683
2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 103886003
3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 107980409
methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate
CID 103752231
2-bromo-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 103754998
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 103756187
2-bromo-5-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47227142
2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 103819583

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide (CID 103752450) is 2-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2cccnc2Br)s1.
What is the InChIKey of 2-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is PXWPWNBCARMNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c1-8-4-5-9(17-8)7-15-12(16)10-3-2-6-14-11(10)13/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 2-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide?
2-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 311.20 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 103752450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).