N-[(4-bromocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide

C14H19BrN2O2 — CID 114148107

IUPACN-[(4-bromocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCC1CCC(Br)CC1
InChIInChI=1S/C14H19BrN2O2/c1-19-14-12(3-2-8-16-14)13(18)17-9-10-4-6-11(15)7-5-10/h2-3,8,10-11H,4-7,9H2,1H3,(H,17,18)
InChIKeyLTVHDVCGJKBHBW-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.77
Rot. Bonds4

About N-[(4-bromocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide

N-[(4-bromocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide (PubChem CID 114148107) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-[(4-bromocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide
PubChem CID114148107
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-[(4-bromocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCC1CCC(Br)CC1
InChIInChI=1S/C14H19BrN2O2/c1-19-14-12(3-2-8-16-14)13(18)17-9-10-4-6-11(15)7-5-10/h2-3,8,10-11H,4-7,9H2,1H3,(H,17,18)
InChIKeyLTVHDVCGJKBHBW-UHFFFAOYSA-N
XLogP2.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide
CID 106124683
N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 136579147
2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 55126271
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-methoxypyridine-3-carboxamide
CID 113273848
N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide
CID 106128171
N-[(4-bromocyclohexyl)methyl]-2-hydroxybenzamide
CID 114148036
N-(2-hydroxy-2-methylpropyl)-2-methoxypyridine-3-carboxamide
CID 65109453
N-(3-bromo-2,2-dimethylpropyl)-2-methoxypyridine-3-carboxamide
CID 115364804
N-[(4-bromocyclohexyl)methyl]quinoline-4-carboxamide
CID 106134702
N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide
CID 62873972
N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide
CID 106128335
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[(4-bromocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide (CID 114148107) is N-[(4-bromocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(4-bromocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[(4-bromocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)NCC1CCC(Br)CC1.
What is the InChIKey of N-[(4-bromocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is LTVHDVCGJKBHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-19-14-12(3-2-8-16-14)13(18)17-9-10-4-6-11(15)7-5-10/h2-3,8,10-11H,4-7,9H2,1H3,(H,17,18).
What are the key properties of N-[(4-bromocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide?
N-[(4-bromocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 114148107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).