N-[(3-bromocyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C14H19BrN2O2 — CID 106133084

IUPACN-[(3-bromocyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC2CCCC(Br)C2)c[nH]1
InChIInChI=1S/C14H19BrN2O2/c1-9-5-13(18)12(8-16-9)14(19)17-7-10-3-2-4-11(15)6-10/h5,8,10-11H,2-4,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeySKSQORJIMINFRL-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.37
Rot. Bonds3

About N-[(3-bromocyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-[(3-bromocyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 106133084) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-[(3-bromocyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromocyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID106133084
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-[(3-bromocyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC2CCCC(Br)C2)c[nH]1
InChIInChI=1S/C14H19BrN2O2/c1-9-5-13(18)12(8-16-9)14(19)17-7-10-3-2-4-11(15)6-10/h5,8,10-11H,2-4,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeySKSQORJIMINFRL-UHFFFAOYSA-N
XLogP2.37
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.37
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

6-methyl-4-oxo-N-(piperidin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 103805930
N-[(2-hydroxycyclopentyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113247272
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717899
N-[(3-bromocyclohexyl)methyl]-3-hydroxy-4-methylbenzamide
CID 106133207
N-[(3-bromocyclohexyl)methyl]-2-methylsulfanylbenzamide
CID 114147792
N-[(3-bromocyclohexyl)methyl]-2-chloro-5-methylsulfanylbenzamide
CID 106132547
N-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 106128022
N-[(3-bromocyclohexyl)methyl]-2-chlorofuran-3-carboxamide
CID 106132945
6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
CID 104955353
N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide
CID 106128335
N-[(3-bromocyclohexyl)methyl]thiadiazole-4-carboxamide
CID 106133046
N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide
CID 106133221

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3-bromocyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 106133084) is N-[(3-bromocyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-bromocyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3-bromocyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCC2CCCC(Br)C2)c[nH]1.
What is the InChIKey of N-[(3-bromocyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is SKSQORJIMINFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-9-5-13(18)12(8-16-9)14(19)17-7-10-3-2-4-11(15)6-10/h5,8,10-11H,2-4,6-7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[(3-bromocyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-[(3-bromocyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclohexyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 106133084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).