N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloropyridine-4-carboxamide

C14H18BrClN2O — CID 103969750

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloropyridine-4-carboxamide
SMILESO=C(NCC1(CBr)CCCCC1)c1ccncc1Cl
InChIInChI=1S/C14H18BrClN2O/c15-9-14(5-2-1-3-6-14)10-18-13(19)11-4-7-17-8-12(11)16/h4,7-8H,1-3,5-6,9-10H2,(H,18,19)
InChIKeyHGVZFRDZQFAZFG-UHFFFAOYSA-N
MW345.67 g/mol
LogP3.81
Rot. Bonds4

About N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloropyridine-4-carboxamide

N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloropyridine-4-carboxamide (PubChem CID 103969750) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloropyridine-4-carboxamide
PubChem CID103969750
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloropyridine-4-carboxamide
SMILESO=C(NCC1(CBr)CCCCC1)c1ccncc1Cl
InChIInChI=1S/C14H18BrClN2O/c15-9-14(5-2-1-3-6-14)10-18-13(19)11-4-7-17-8-12(11)16/h4,7-8H,1-3,5-6,9-10H2,(H,18,19)
InChIKeyHGVZFRDZQFAZFG-UHFFFAOYSA-N
XLogP3.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 113359928
3-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 66483576
1-[[(3-chloropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309086
N-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 115364322
N-(2-bromoethyl)-3-chloropyridine-4-carboxamide
CID 66482611
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-chloro-5-hydroxybenzamide
CID 106503177
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridine-4-carboxamide
CID 113359929
N-[[1-(bromomethyl)cyclohexyl]methyl]pyridazine-4-carboxamide
CID 113439559
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-hydroxypyridine-4-carboxamide
CID 103970138
N-[[1-(bromomethyl)cyclohexyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 103969910
3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 115362736
N-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide
CID 113294802

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloropyridine-4-carboxamide?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloropyridine-4-carboxamide (CID 103969750) is N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloropyridine-4-carboxamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloropyridine-4-carboxamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloropyridine-4-carboxamide is O=C(NCC1(CBr)CCCCC1)c1ccncc1Cl.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloropyridine-4-carboxamide?
The InChIKey is HGVZFRDZQFAZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c15-9-14(5-2-1-3-6-14)10-18-13(19)11-4-7-17-8-12(11)16/h4,7-8H,1-3,5-6,9-10H2,(H,18,19).
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloropyridine-4-carboxamide?
N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloropyridine-4-carboxamide has a molecular weight of 345.67 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloropyridine-4-carboxamide is sourced from PubChem (CID 103969750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).