N-[[1-(bromomethyl)cyclohexyl]methyl]-6-oxo-1H-pyridine-3-carboxamide

C14H19BrN2O2 — CID 114041003

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC1(CBr)CCCCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H19BrN2O2/c15-9-14(6-2-1-3-7-14)10-17-13(19)11-4-5-12(18)16-8-11/h4-5,8H,1-3,6-7,9-10H2,(H,16,18)(H,17,19)
InChIKeyMFECQYKHVJJRTL-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.45
Rot. Bonds4

About N-[[1-(bromomethyl)cyclohexyl]methyl]-6-oxo-1H-pyridine-3-carboxamide

N-[[1-(bromomethyl)cyclohexyl]methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 114041003) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID114041003
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC1(CBr)CCCCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H19BrN2O2/c15-9-14(6-2-1-3-7-14)10-17-13(19)11-4-5-12(18)16-8-11/h4-5,8H,1-3,6-7,9-10H2,(H,16,18)(H,17,19)
InChIKeyMFECQYKHVJJRTL-UHFFFAOYSA-N
XLogP2.45
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(bromomethyl)cyclohexyl]methyl]-1H-pyrazole-4-carboxamide
CID 103969790
N-[[1-(bromomethyl)cyclohexyl]methyl]-4-propan-2-ylbenzamide
CID 103969744
3,5-dibromo-N-[[1-(bromomethyl)cyclohexyl]methyl]benzamide
CID 107975224
N-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 115364322
N-[[1-(bromomethyl)cyclohexyl]methyl]pyridazine-4-carboxamide
CID 113439559
N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-4-hydroxybenzamide
CID 103969636
4-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-3-fluorobenzamide
CID 103969816
3,5-dibromo-N-[[1-(bromomethyl)cyclopentyl]methyl]benzamide
CID 107975182
N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43389064
N-[[1-(bromomethyl)cyclopropyl]methyl]-3,4-dichlorobenzamide
CID 115456401
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56819138
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide
CID 107941344

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 114041003) is N-[[1-(bromomethyl)cyclohexyl]methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NCC1(CBr)CCCCC1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MFECQYKHVJJRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-9-14(6-2-1-3-7-14)10-17-13(19)11-4-5-12(18)16-8-11/h4-5,8H,1-3,6-7,9-10H2,(H,16,18)(H,17,19).
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[[1-(bromomethyl)cyclohexyl]methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 114041003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).