N-[[2-(chloromethyl)cyclohexyl]methyl]-2-methylpyridine-4-carboxamide

C15H21ClN2O — CID 106754219

IUPACN-[[2-(chloromethyl)cyclohexyl]methyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCCCC2CCl)ccn1
InChIInChI=1S/C15H21ClN2O/c1-11-8-12(6-7-17-11)15(19)18-10-14-5-3-2-4-13(14)9-16/h6-8,13-14H,2-5,9-10H2,1H3,(H,18,19)
InChIKeyRNYYSXVUEWLHGL-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.17
Rot. Bonds4

About N-[[2-(chloromethyl)cyclohexyl]methyl]-2-methylpyridine-4-carboxamide

N-[[2-(chloromethyl)cyclohexyl]methyl]-2-methylpyridine-4-carboxamide (PubChem CID 106754219) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclohexyl]methyl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclohexyl]methyl]-2-methylpyridine-4-carboxamide
PubChem CID106754219
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[[2-(chloromethyl)cyclohexyl]methyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCCCC2CCl)ccn1
InChIInChI=1S/C15H21ClN2O/c1-11-8-12(6-7-17-11)15(19)18-10-14-5-3-2-4-13(14)9-16/h6-8,13-14H,2-5,9-10H2,1H3,(H,18,19)
InChIKeyRNYYSXVUEWLHGL-UHFFFAOYSA-N
XLogP3.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.17
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

N-[[2-(chloromethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
CID 114306751
N-[(3-chlorocyclopentyl)methyl]-2-methylpyridine-4-carboxamide
CID 106126288
2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 54983144
2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107417784
2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 55011733
N-[[2-(chloromethyl)cyclopentyl]methyl]-3-iodobenzamide
CID 113273857
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114307110
dichloromethane;2-methylpyridine-4-carbohydrazide
CID 157362616
N-[[2-(chloromethyl)cyclohexyl]methyl]-5-fluoropyridine-2-carboxamide
CID 104643161
N-[[2-(chloromethyl)cyclohexyl]methyl]-4-cyanobenzamide
CID 114306941
N-(2-chloro-3-methylbutyl)-2-methylpyridine-4-carboxamide
CID 106754281
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide
CID 106753486

Frequently Asked Questions

What is the IUPAC name of N-[[2-(chloromethyl)cyclohexyl]methyl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[[2-(chloromethyl)cyclohexyl]methyl]-2-methylpyridine-4-carboxamide (CID 106754219) is N-[[2-(chloromethyl)cyclohexyl]methyl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[[2-(chloromethyl)cyclohexyl]methyl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[[2-(chloromethyl)cyclohexyl]methyl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)NCC2CCCCC2CCl)ccn1.
What is the InChIKey of N-[[2-(chloromethyl)cyclohexyl]methyl]-2-methylpyridine-4-carboxamide?
The InChIKey is RNYYSXVUEWLHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11-8-12(6-7-17-11)15(19)18-10-14-5-3-2-4-13(14)9-16/h6-8,13-14H,2-5,9-10H2,1H3,(H,18,19).
What are the key properties of N-[[2-(chloromethyl)cyclohexyl]methyl]-2-methylpyridine-4-carboxamide?
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-methylpyridine-4-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(chloromethyl)cyclohexyl]methyl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106754219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).