5-bromo-N-[(2-methoxy-2-adamantyl)methyl]pyridine-3-carboxamide

C18H23BrN2O2 — CID 90624152

IUPAC5-bromo-N-[(2-methoxy-2-adamantyl)methyl]pyridine-3-carboxamide
SMILESCOC1(CNC(=O)c2cncc(Br)c2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H23BrN2O2/c1-23-18(10-21-17(22)13-7-16(19)9-20-8-13)14-3-11-2-12(5-14)6-15(18)4-11/h7-9,11-12,14-15H,2-6,10H2,1H3,(H,21,22)
InChIKeyQAMKACYLKTYZCG-UHFFFAOYSA-N
MW379.30 g/mol
LogP3.42
Rot. Bonds4

About 5-bromo-N-[(2-methoxy-2-adamantyl)methyl]pyridine-3-carboxamide

5-bromo-N-[(2-methoxy-2-adamantyl)methyl]pyridine-3-carboxamide (PubChem CID 90624152) has the molecular formula C18H23BrN2O2 and a molecular weight of 379.30 g/mol. Its IUPAC name is 5-bromo-N-[(2-methoxy-2-adamantyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-methoxy-2-adamantyl)methyl]pyridine-3-carboxamide
PubChem CID90624152
Molecular FormulaC18H23BrN2O2
Molecular Weight379.30 g/mol
Exact Mass378.09
IUPAC Name5-bromo-N-[(2-methoxy-2-adamantyl)methyl]pyridine-3-carboxamide
SMILESCOC1(CNC(=O)c2cncc(Br)c2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H23BrN2O2/c1-23-18(10-21-17(22)13-7-16(19)9-20-8-13)14-3-11-2-12(5-14)6-15(18)4-11/h7-9,11-12,14-15H,2-6,10H2,1H3,(H,21,22)
InChIKeyQAMKACYLKTYZCG-UHFFFAOYSA-N
XLogP3.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide
CID 90624121
5-bromo-N-[(1-methoxycyclobutyl)methyl]pyridine-3-carboxamide
CID 103991115
3-fluoro-N-[(2-methoxy-2-adamantyl)methyl]benzamide
CID 90624072
5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide
CID 113252985
5-bromo-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
CID 114617380
5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689
5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide
CID 43600789
5-bromo-N-methoxypyridine-3-carboxamide
CID 51279281
4-[(5-bromopyridine-3-carbonyl)amino]-2-methylbutanoic acid
CID 80538521
5-bromo-N-[(4-bromocyclohexyl)methyl]pyridine-3-carboxamide
CID 114148085
2-[1-[[(5-bromopyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81163589
5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
CID 61381313

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methoxy-2-adamantyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(2-methoxy-2-adamantyl)methyl]pyridine-3-carboxamide (CID 90624152) is 5-bromo-N-[(2-methoxy-2-adamantyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-methoxy-2-adamantyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-methoxy-2-adamantyl)methyl]pyridine-3-carboxamide is COC1(CNC(=O)c2cncc(Br)c2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 5-bromo-N-[(2-methoxy-2-adamantyl)methyl]pyridine-3-carboxamide?
The InChIKey is QAMKACYLKTYZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O2/c1-23-18(10-21-17(22)13-7-16(19)9-20-8-13)14-3-11-2-12(5-14)6-15(18)4-11/h7-9,11-12,14-15H,2-6,10H2,1H3,(H,21,22).
What are the key properties of 5-bromo-N-[(2-methoxy-2-adamantyl)methyl]pyridine-3-carboxamide?
5-bromo-N-[(2-methoxy-2-adamantyl)methyl]pyridine-3-carboxamide has a molecular weight of 379.30 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-methoxy-2-adamantyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 90624152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).