5-bromo-N-[(1R)-1-cyclohexylethyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide

C20H24BrN3O2 — CID 58368118

IUPAC5-bromo-N-[(1R)-1-cyclohexylethyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cnc(OCc2ccncc2)c(Br)c1)C1CCCCC1
InChIInChI=1S/C20H24BrN3O2/c1-14(16-5-3-2-4-6-16)24-19(25)17-11-18(21)20(23-12-17)26-13-15-7-9-22-10-8-15/h7-12,14,16H,2-6,13H2,1H3,(H,24,25)/t14-/m1/s1
InChIKeyASWPKZIJKZSYJX-CQSZACIVSA-N
MW418.34 g/mol
LogP4.52
Rot. Bonds6

About 5-bromo-N-[(1R)-1-cyclohexylethyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide

5-bromo-N-[(1R)-1-cyclohexylethyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide (PubChem CID 58368118) has the molecular formula C20H24BrN3O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is 5-bromo-N-[(1R)-1-cyclohexylethyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1R)-1-cyclohexylethyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide
PubChem CID58368118
Molecular FormulaC20H24BrN3O2
Molecular Weight418.34 g/mol
Exact Mass417.11
IUPAC Name5-bromo-N-[(1R)-1-cyclohexylethyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cnc(OCc2ccncc2)c(Br)c1)C1CCCCC1
InChIInChI=1S/C20H24BrN3O2/c1-14(16-5-3-2-4-6-16)24-19(25)17-11-18(21)20(23-12-17)26-13-15-7-9-22-10-8-15/h7-12,14,16H,2-6,13H2,1H3,(H,24,25)/t14-/m1/s1
InChIKeyASWPKZIJKZSYJX-CQSZACIVSA-N
XLogP4.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1R)-1-cyclohexylethyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(1R)-1-cyclohexylethyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide (CID 58368118) is 5-bromo-N-[(1R)-1-cyclohexylethyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1R)-1-cyclohexylethyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(1R)-1-cyclohexylethyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide is C[C@@H](NC(=O)c1cnc(OCc2ccncc2)c(Br)c1)C1CCCCC1.
What is the InChIKey of 5-bromo-N-[(1R)-1-cyclohexylethyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide?
The InChIKey is ASWPKZIJKZSYJX-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24BrN3O2/c1-14(16-5-3-2-4-6-16)24-19(25)17-11-18(21)20(23-12-17)26-13-15-7-9-22-10-8-15/h7-12,14,16H,2-6,13H2,1H3,(H,24,25)/t14-/m1/s1.
What are the key properties of 5-bromo-N-[(1R)-1-cyclohexylethyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide?
5-bromo-N-[(1R)-1-cyclohexylethyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide has a molecular weight of 418.34 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1R)-1-cyclohexylethyl]-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 58368118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).