N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-3-carboxamide

C16H18BrN5OS — CID 175649792

IUPACN-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCSc1ncc(Br)c(N2CCC(NC(=O)c3cccnc3)CC2)n1
InChIInChI=1S/C16H18BrN5OS/c1-24-16-19-10-13(17)14(21-16)22-7-4-12(5-8-22)20-15(23)11-3-2-6-18-9-11/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,20,23)
InChIKeyUSFDMSZJNVMGPC-UHFFFAOYSA-N
MW408.33 g/mol
LogP2.75
Rot. Bonds4

About N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-3-carboxamide

N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 175649792) has the molecular formula C16H18BrN5OS and a molecular weight of 408.33 g/mol. Its IUPAC name is N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID175649792
Molecular FormulaC16H18BrN5OS
Molecular Weight408.33 g/mol
Exact Mass407.04
IUPAC NameN-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCSc1ncc(Br)c(N2CCC(NC(=O)c3cccnc3)CC2)n1
InChIInChI=1S/C16H18BrN5OS/c1-24-16-19-10-13(17)14(21-16)22-7-4-12(5-8-22)20-15(23)11-3-2-6-18-9-11/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,20,23)
InChIKeyUSFDMSZJNVMGPC-UHFFFAOYSA-N
XLogP2.75
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175649555
1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163345409
N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175648905
N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
CID 175650470
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175648718
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 53185597
1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171993187
N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrazole-3-carboxamide
CID 172891499
N-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]pyridine-4-carboxamide
CID 172901933
N-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 51108012

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-3-carboxamide (CID 175649792) is N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-3-carboxamide is CSc1ncc(Br)c(N2CCC(NC(=O)c3cccnc3)CC2)n1.
What is the InChIKey of N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is USFDMSZJNVMGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN5OS/c1-24-16-19-10-13(17)14(21-16)22-7-4-12(5-8-22)20-15(23)11-3-2-6-18-9-11/h2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,20,23).
What are the key properties of N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-3-carboxamide?
N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 408.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 175649792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).