N-(5-bromo-3-methyl-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide

C12H13BrF2N2O — CID 114098798

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide
SMILESCc1cc(Br)cnc1NC(=O)C1CCC(F)(F)C1
InChIInChI=1S/C12H13BrF2N2O/c1-7-4-9(13)6-16-10(7)17-11(18)8-2-3-12(14,15)5-8/h4,6,8H,2-3,5H2,1H3,(H,16,17,18)
InChIKeyYNSMYPXRNLQGCR-UHFFFAOYSA-N
MW319.15 g/mol
LogP3.53
Rot. Bonds2

About N-(5-bromo-3-methyl-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide

N-(5-bromo-3-methyl-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide (PubChem CID 114098798) has the molecular formula C12H13BrF2N2O and a molecular weight of 319.15 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide
PubChem CID114098798
Molecular FormulaC12H13BrF2N2O
Molecular Weight319.15 g/mol
Exact Mass318.02
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide
SMILESCc1cc(Br)cnc1NC(=O)C1CCC(F)(F)C1
InChIInChI=1S/C12H13BrF2N2O/c1-7-4-9(13)6-16-10(7)17-11(18)8-2-3-12(14,15)5-8/h4,6,8H,2-3,5H2,1H3,(H,16,17,18)
InChIKeyYNSMYPXRNLQGCR-UHFFFAOYSA-N
XLogP3.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-3-methyl-2-pyridinyl)-1,1-dioxothiolane-3-carboxamide
CID 75430216
N-(5-bromo-3-methyl-2-pyridinyl)-5-methyloxolane-3-carboxamide
CID 114825721
N-(5-bromo-3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 81489355
N-(5-bromo-3-methyl-2-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 75430218
N-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperidine-2-carboxamide
CID 107068531
ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate
CID 83170551
1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea
CID 83170861
N-(3-amino-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide
CID 114226135
6-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-3-carboxylic acid
CID 114226167
5-[(5-bromo-3-methyl-2-pyridinyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427452
N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide
CID 81489506
N-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide
CID 67362705

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide (CID 114098798) is N-(5-bromo-3-methyl-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide is Cc1cc(Br)cnc1NC(=O)C1CCC(F)(F)C1.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide?
The InChIKey is YNSMYPXRNLQGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2N2O/c1-7-4-9(13)6-16-10(7)17-11(18)8-2-3-12(14,15)5-8/h4,6,8H,2-3,5H2,1H3,(H,16,17,18).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide?
N-(5-bromo-3-methyl-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide has a molecular weight of 319.15 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide is sourced from PubChem (CID 114098798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).