N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide

C14H19ClN2O — CID 113359945

IUPACN-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCC1(CCl)CCCCC1)c1ccncc1
InChIInChI=1S/C14H19ClN2O/c15-10-14(6-2-1-3-7-14)11-17-13(18)12-4-8-16-9-5-12/h4-5,8-9H,1-3,6-7,10-11H2,(H,17,18)
InChIKeyWYHUYVJTHQITEZ-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.00
Rot. Bonds4

About N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide

N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide (PubChem CID 113359945) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
PubChem CID113359945
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCC1(CCl)CCCCC1)c1ccncc1
InChIInChI=1S/C14H19ClN2O/c15-10-14(6-2-1-3-7-14)11-17-13(18)12-4-8-16-9-5-12/h4-5,8-9H,1-3,6-7,10-11H2,(H,17,18)
InChIKeyWYHUYVJTHQITEZ-UHFFFAOYSA-N
XLogP3.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.00
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-[[1-(chloromethyl)cyclohexyl]methyl]pyridazine-4-carboxamide
CID 104672791
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
N-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 115364322
N-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide
CID 115364055
3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 113359928
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridine-4-carboxamide
CID 113359929
3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 115363928
methyl 1-[(pyridine-4-carbonylamino)methyl]cyclohexane-1-carboxylate
CID 75484641
5-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-2-carboxamide
CID 113359954
3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]-4-iodobenzamide
CID 103212632
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridine-3-carboxamide
CID 113294750
3,5-dibromo-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 107975178

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide (CID 113359945) is N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide is O=C(NCC1(CCl)CCCCC1)c1ccncc1.
What is the InChIKey of N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide?
The InChIKey is WYHUYVJTHQITEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-10-14(6-2-1-3-7-14)11-17-13(18)12-4-8-16-9-5-12/h4-5,8-9H,1-3,6-7,10-11H2,(H,17,18).
What are the key properties of N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide?
N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 113359945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).