N-(5-bromo-2-pyridinyl)-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide

C14H14BrN3OS — CID 146089533

IUPACN-(5-bromo-2-pyridinyl)-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide
SMILESCSCc1cccnc1C(=O)N(C)c1ccc(Br)cn1
InChIInChI=1S/C14H14BrN3OS/c1-18(12-6-5-11(15)8-17-12)14(19)13-10(9-20-2)4-3-7-16-13/h3-8H,9H2,1-2H3
InChIKeyCEDAIJJZXVQTAZ-UHFFFAOYSA-N
MW352.26 g/mol
LogP3.38
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide

N-(5-bromo-2-pyridinyl)-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide (PubChem CID 146089533) has the molecular formula C14H14BrN3OS and a molecular weight of 352.26 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide
PubChem CID146089533
Molecular FormulaC14H14BrN3OS
Molecular Weight352.26 g/mol
Exact Mass351.00
IUPAC NameN-(5-bromo-2-pyridinyl)-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide
SMILESCSCc1cccnc1C(=O)N(C)c1ccc(Br)cn1
InChIInChI=1S/C14H14BrN3OS/c1-18(12-6-5-11(15)8-17-12)14(19)13-10(9-20-2)4-3-7-16-13/h3-8H,9H2,1-2H3
InChIKeyCEDAIJJZXVQTAZ-UHFFFAOYSA-N
XLogP3.38
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-N-methyl-2-pyridin-2-ylacetamide
CID 115274152
N-(5-bromo-2-pyridinyl)-N-methyl-2-(2-methylphenyl)acetamide
CID 115268319
N-(5-bromo-2-pyridinyl)-4-chloro-N-methylbenzamide
CID 115268312
N-(5-bromo-2-pyridinyl)-N,4-dimethylpentanamide
CID 115274143
N-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide
CID 115268287
methyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate
CID 115268324
N-(5-bromo-2-pyridinyl)-2-(4-ethylphenyl)-N-methylacetamide
CID 115274145
N-[5-(1,1-difluoroethyl)-2-pyridinyl]-3-ethylsulfanyl-N-methylpyridine-2-carboxamide
CID 118216707
1-(5-bromo-2-pyridinyl)-1-methyl-3-phenylurea
CID 115268322
3-ethylsulfanyl-N-methyl-N-[5-(trifluoromethylsulfanyl)-2-pyridinyl]pyridine-2-carboxamide
CID 118113343
N-[(4-cyanophenyl)methyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide
CID 138574473
N-(5-bromo-2-pyridinyl)-2-methoxy-N,5-dimethylbenzamide
CID 115274114

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide (CID 146089533) is N-(5-bromo-2-pyridinyl)-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide is CSCc1cccnc1C(=O)N(C)c1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide?
The InChIKey is CEDAIJJZXVQTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3OS/c1-18(12-6-5-11(15)8-17-12)14(19)13-10(9-20-2)4-3-7-16-13/h3-8H,9H2,1-2H3.
What are the key properties of N-(5-bromo-2-pyridinyl)-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide?
N-(5-bromo-2-pyridinyl)-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide has a molecular weight of 352.26 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-N-methyl-3-(methylsulfanylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 146089533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).