5-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-2-carboxamide

C14H18Cl2N2O — CID 113359954

IUPAC5-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(CCl)CCCCC1)c1ccc(Cl)cn1
InChIInChI=1S/C14H18Cl2N2O/c15-9-14(6-2-1-3-7-14)10-18-13(19)12-5-4-11(16)8-17-12/h4-5,8H,1-3,6-7,9-10H2,(H,18,19)
InChIKeyYJVIZPFBPFKNJU-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.65
Rot. Bonds4

About 5-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-2-carboxamide

5-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-2-carboxamide (PubChem CID 113359954) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 5-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-2-carboxamide
PubChem CID113359954
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name5-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(CCl)CCCCC1)c1ccc(Cl)cn1
InChIInChI=1S/C14H18Cl2N2O/c15-9-14(6-2-1-3-7-14)10-18-13(19)12-5-4-11(16)8-17-12/h4-5,8H,1-3,6-7,9-10H2,(H,18,19)
InChIKeyYJVIZPFBPFKNJU-UHFFFAOYSA-N
XLogP3.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.65
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]-2-(4-chlorophenyl)acetamide
CID 103969492
N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 113359945
5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 113400496
N-[[1-(chloromethyl)cyclohexyl]methyl]pyridazine-4-carboxamide
CID 104672791
N-[[1-(chloromethyl)cyclohexyl]methyl]-2,3,4-trifluorobenzamide
CID 103969519
3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 113359928
5-amino-N-[(1-hydroxycycloheptyl)methyl]pyridine-2-carboxamide
CID 81316208
2-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]furan-3-carboxamide
CID 106690116
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridine-4-carboxamide
CID 113359929
3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 115363928
3-bromo-4-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]benzamide
CID 107994133
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
CID 103969592

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-2-carboxamide (CID 113359954) is 5-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-2-carboxamide is O=C(NCC1(CCl)CCCCC1)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-2-carboxamide?
The InChIKey is YJVIZPFBPFKNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c15-9-14(6-2-1-3-7-14)10-18-13(19)12-5-4-11(16)8-17-12/h4-5,8H,1-3,6-7,9-10H2,(H,18,19).
What are the key properties of 5-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-2-carboxamide?
5-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-2-carboxamide has a molecular weight of 301.22 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 113359954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).