5-bromo-2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-3-carboxamide

C14H18BrClN2O2 — CID 65118505

IUPAC5-bromo-2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-3-carboxamide
SMILESCC1CCCC(O)(CNC(=O)c2cc(Br)cnc2Cl)C1
InChIInChI=1S/C14H18BrClN2O2/c1-9-3-2-4-14(20,6-9)8-18-13(19)11-5-10(15)7-17-12(11)16/h5,7,9,20H,2-4,6,8H2,1H3,(H,18,19)
InChIKeyVYZRGEGFQIOTCL-UHFFFAOYSA-N
MW361.67 g/mol
LogP3.17
Rot. Bonds3

About 5-bromo-2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-3-carboxamide

5-bromo-2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-3-carboxamide (PubChem CID 65118505) has the molecular formula C14H18BrClN2O2 and a molecular weight of 361.67 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-3-carboxamide
PubChem CID65118505
Molecular FormulaC14H18BrClN2O2
Molecular Weight361.67 g/mol
Exact Mass360.02
IUPAC Name5-bromo-2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-3-carboxamide
SMILESCC1CCCC(O)(CNC(=O)c2cc(Br)cnc2Cl)C1
InChIInChI=1S/C14H18BrClN2O2/c1-9-3-2-4-14(20,6-9)8-18-13(19)11-5-10(15)7-17-12(11)16/h5,7,9,20H,2-4,6,8H2,1H3,(H,18,19)
InChIKeyVYZRGEGFQIOTCL-UHFFFAOYSA-N
XLogP3.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.67
LogP ≤ 53.17
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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Related Compounds

5-bromo-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-3-carboxamide
CID 107301534
5-bromo-2-chloro-N-[(1-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 103722174
3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124230
5-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 107257902
6-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 106551418
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpyridine-3-carboxamide
CID 79039376
3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylbenzamide
CID 115664965
4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide
CID 65123811
5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
CID 102795231
1-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 104924128
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide
CID 65124144
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide
CID 65124108

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-3-carboxamide (CID 65118505) is 5-bromo-2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-3-carboxamide is CC1CCCC(O)(CNC(=O)c2cc(Br)cnc2Cl)C1.
What is the InChIKey of 5-bromo-2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-3-carboxamide?
The InChIKey is VYZRGEGFQIOTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O2/c1-9-3-2-4-14(20,6-9)8-18-13(19)11-5-10(15)7-17-12(11)16/h5,7,9,20H,2-4,6,8H2,1H3,(H,18,19).
What are the key properties of 5-bromo-2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-3-carboxamide?
5-bromo-2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-3-carboxamide has a molecular weight of 361.67 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 65118505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).