N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridine-4-carboxamide

C14H18ClFN2O — CID 113359929

IUPACN-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(NCC1(CCl)CCCCC1)c1ccncc1F
InChIInChI=1S/C14H18ClFN2O/c15-9-14(5-2-1-3-6-14)10-18-13(19)11-4-7-17-8-12(11)16/h4,7-8H,1-3,5-6,9-10H2,(H,18,19)
InChIKeyDXPQRHZTPXYYCX-UHFFFAOYSA-N
MW284.76 g/mol
LogP3.14
Rot. Bonds4

About N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridine-4-carboxamide

N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridine-4-carboxamide (PubChem CID 113359929) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridine-4-carboxamide
PubChem CID113359929
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC NameN-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(NCC1(CCl)CCCCC1)c1ccncc1F
InChIInChI=1S/C14H18ClFN2O/c15-9-14(5-2-1-3-6-14)10-18-13(19)11-4-7-17-8-12(11)16/h4,7-8H,1-3,5-6,9-10H2,(H,18,19)
InChIKeyDXPQRHZTPXYYCX-UHFFFAOYSA-N
XLogP3.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 53.14
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

3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 115362736
3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 113359928
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoropyridine-4-carboxamide
CID 114758967
N-[[1-(chloromethyl)cyclohexyl]methyl]-2,3,4-trifluorobenzamide
CID 103969519
N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 113359945
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-4-carboxamide
CID 79039193
N-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide
CID 115364055
N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloropyridine-4-carboxamide
CID 103969750
3-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 66483576
N-[[1-(chloromethyl)cyclohexyl]methyl]pyridazine-4-carboxamide
CID 104672791
1-[(3-fluoropyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 64950656
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-hydroxypyridine-4-carboxamide
CID 103970138

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridine-4-carboxamide (CID 113359929) is N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridine-4-carboxamide is O=C(NCC1(CCl)CCCCC1)c1ccncc1F.
What is the InChIKey of N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is DXPQRHZTPXYYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c15-9-14(5-2-1-3-6-14)10-18-13(19)11-4-7-17-8-12(11)16/h4,7-8H,1-3,5-6,9-10H2,(H,18,19).
What are the key properties of N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridine-4-carboxamide?
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 284.76 g/mol, XLogP of 3.14, 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]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 113359929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).