6-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-3-carboxamide

C14H19BrN2O2 — CID 66464153

IUPAC6-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-3-carboxamide
SMILESCC1CCC(O)(CNC(=O)c2ccc(Br)nc2)CC1
InChIInChI=1S/C14H19BrN2O2/c1-10-4-6-14(19,7-5-10)9-17-13(18)11-2-3-12(15)16-8-11/h2-3,8,10,19H,4-7,9H2,1H3,(H,17,18)
InChIKeyFBEGJSJCBGODPH-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.52
Rot. Bonds3

About 6-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-3-carboxamide

6-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-3-carboxamide (PubChem CID 66464153) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 6-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-3-carboxamide
PubChem CID66464153
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name6-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-3-carboxamide
SMILESCC1CCC(O)(CNC(=O)c2ccc(Br)nc2)CC1
InChIInChI=1S/C14H19BrN2O2/c1-10-4-6-14(19,7-5-10)9-17-13(18)11-2-3-12(15)16-8-11/h2-3,8,10,19H,4-7,9H2,1H3,(H,17,18)
InChIKeyFBEGJSJCBGODPH-UHFFFAOYSA-N
XLogP2.52
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-3-carboxamide (CID 66464153) is 6-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-3-carboxamide is CC1CCC(O)(CNC(=O)c2ccc(Br)nc2)CC1.
What is the InChIKey of 6-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-3-carboxamide?
The InChIKey is FBEGJSJCBGODPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10-4-6-14(19,7-5-10)9-17-13(18)11-2-3-12(15)16-8-11/h2-3,8,10,19H,4-7,9H2,1H3,(H,17,18).
What are the key properties of 6-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-3-carboxamide?
6-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-3-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 66464153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).