2-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide

C14H19BrN2O2 — CID 104630803

IUPAC2-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide
SMILESCC1CCC(CO)(NC(=O)c2cccnc2Br)CC1
InChIInChI=1S/C14H19BrN2O2/c1-10-4-6-14(9-18,7-5-10)17-13(19)11-3-2-8-16-12(11)15/h2-3,8,10,18H,4-7,9H2,1H3,(H,17,19)
InChIKeyFIBRXKGYFCQKRO-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.52
Rot. Bonds3

About 2-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide

2-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide (PubChem CID 104630803) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide
PubChem CID104630803
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide
SMILESCC1CCC(CO)(NC(=O)c2cccnc2Br)CC1
InChIInChI=1S/C14H19BrN2O2/c1-10-4-6-14(9-18,7-5-10)17-13(19)11-3-2-8-16-12(11)15/h2-3,8,10,18H,4-7,9H2,1H3,(H,17,19)
InChIKeyFIBRXKGYFCQKRO-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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Related Compounds

2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62526979
3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 107097755
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62525620
2-bromo-N-[2-(4-methylcyclohexyl)ethyl]pyridine-3-carboxamide
CID 114036166
4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 86791516
2,4-diamino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527081
3-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 81471727
4,5-dibromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]thiophene-2-carboxamide
CID 62525616
5-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide
CID 55081948
5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 82883323
N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 104630791
4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527504

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide (CID 104630803) is 2-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide is CC1CCC(CO)(NC(=O)c2cccnc2Br)CC1.
What is the InChIKey of 2-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide?
The InChIKey is FIBRXKGYFCQKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10-4-6-14(9-18,7-5-10)17-13(19)11-3-2-8-16-12(11)15/h2-3,8,10,18H,4-7,9H2,1H3,(H,17,19).
What are the key properties of 2-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide?
2-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]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 2-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 104630803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).