N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide

C13H17BrN2O — CID 102674384

IUPACN-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2cc(Br)ccn2)CC1
InChIInChI=1S/C13H17BrN2O/c1-9-2-4-10(5-3-9)13(17)16-12-8-11(14)6-7-15-12/h6-10H,2-5H2,1H3,(H,15,16,17)
InChIKeyDLZLSMIYBUAKRR-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.61
Rot. Bonds2

About N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide

N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 102674384) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide
PubChem CID102674384
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC NameN-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2cc(Br)ccn2)CC1
InChIInChI=1S/C13H17BrN2O/c1-9-2-4-10(5-3-9)13(17)16-12-8-11(14)6-7-15-12/h6-10H,2-5H2,1H3,(H,15,16,17)
InChIKeyDLZLSMIYBUAKRR-UHFFFAOYSA-N
XLogP3.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-pyridinyl)cyclopentanecarboxamide
CID 102674366
N-(4-bromo-2-pyridinyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106704334
N-(2-chloropyrimidin-4-yl)-4-methylcyclohexane-1-carboxamide
CID 116798469
N-(5-bromopyrazin-2-yl)-4-methylcyclohexane-1-carboxamide
CID 80502105
4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane
CID 177218315
N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
1-(4-bromo-2-pyridinyl)-3-cyclopentylurea
CID 108902777
N-(4-bromo-2-pyridinyl)-2-cyclobutylacetamide
CID 102674085
N-(4-bromo-2-pyridinyl)-5-methylpyrazine-2-carboxamide
CID 102674370
1-(4-bromo-2-pyridinyl)-3-propylurea
CID 102820656
N-(4-bromo-2-pyridinyl)piperidine-1-carboxamide
CID 102820657
N-(6-bromopyrimidin-4-yl)cyclopropanecarboxamide
CID 176572417

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide (CID 102674384) is N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)Nc2cc(Br)ccn2)CC1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is DLZLSMIYBUAKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9-2-4-10(5-3-9)13(17)16-12-8-11(14)6-7-15-12/h6-10H,2-5H2,1H3,(H,15,16,17).
What are the key properties of N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide?
N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 102674384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).