N-[cyano(cyclohexyl)methyl]-6-fluoropyridine-2-carboxamide

C14H16FN3O — CID 103846977

IUPACN-[cyano(cyclohexyl)methyl]-6-fluoropyridine-2-carboxamide
SMILESN#CC(NC(=O)c1cccc(F)n1)C1CCCCC1
InChIInChI=1S/C14H16FN3O/c15-13-8-4-7-11(17-13)14(19)18-12(9-16)10-5-2-1-3-6-10/h4,7-8,10,12H,1-3,5-6H2,(H,18,19)
InChIKeyGHGNLDAVFYOGRN-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.42
Rot. Bonds3

About N-[cyano(cyclohexyl)methyl]-6-fluoropyridine-2-carboxamide

N-[cyano(cyclohexyl)methyl]-6-fluoropyridine-2-carboxamide (PubChem CID 103846977) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[cyano(cyclohexyl)methyl]-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[cyano(cyclohexyl)methyl]-6-fluoropyridine-2-carboxamide
PubChem CID103846977
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[cyano(cyclohexyl)methyl]-6-fluoropyridine-2-carboxamide
SMILESN#CC(NC(=O)c1cccc(F)n1)C1CCCCC1
InChIInChI=1S/C14H16FN3O/c15-13-8-4-7-11(17-13)14(19)18-12(9-16)10-5-2-1-3-6-10/h4,7-8,10,12H,1-3,5-6H2,(H,18,19)
InChIKeyGHGNLDAVFYOGRN-UHFFFAOYSA-N
XLogP2.42
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[cyano(cyclohexyl)methyl]-1-methylpyrazole-3-carboxamide
CID 103727982
N-[cyano(cyclohexyl)methyl]-2-fluoro-6-methoxybenzamide
CID 65434785
3-chloro-N-[cyano(cyclohexyl)methyl]benzamide
CID 61119808
N-[cyano(cyclohexyl)methyl]pyridazine-4-carboxamide
CID 112702176
2-bromo-N-[cyano(cyclohexyl)methyl]benzamide
CID 61124389
4-chloro-N-[cyano(cyclohexyl)methyl]-2-fluorobenzamide
CID 61123792
6-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridine-2-carboxamide
CID 115869095
N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide
CID 115496783
6-fluoro-N-(2-methylcycloheptyl)pyridine-2-carboxamide
CID 115497960
N-[cyano(cyclohexyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 79676947
N-[cyano(cyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66157343
N-[cyano(cyclopropyl)methyl]benzamide
CID 54594318

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclohexyl)methyl]-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-[cyano(cyclohexyl)methyl]-6-fluoropyridine-2-carboxamide (CID 103846977) is N-[cyano(cyclohexyl)methyl]-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[cyano(cyclohexyl)methyl]-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[cyano(cyclohexyl)methyl]-6-fluoropyridine-2-carboxamide is N#CC(NC(=O)c1cccc(F)n1)C1CCCCC1.
What is the InChIKey of N-[cyano(cyclohexyl)methyl]-6-fluoropyridine-2-carboxamide?
The InChIKey is GHGNLDAVFYOGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-13-8-4-7-11(17-13)14(19)18-12(9-16)10-5-2-1-3-6-10/h4,7-8,10,12H,1-3,5-6H2,(H,18,19).
What are the key properties of N-[cyano(cyclohexyl)methyl]-6-fluoropyridine-2-carboxamide?
N-[cyano(cyclohexyl)methyl]-6-fluoropyridine-2-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclohexyl)methyl]-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 103846977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).