N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide

C19H21FN2O — CID 53111052

IUPACN-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C19H21FN2O/c20-16-10-7-14(8-11-16)18-12-9-15(13-21-18)19(23)22-17-5-3-1-2-4-6-17/h7-13,17H,1-6H2,(H,22,23)
InChIKeyMRUXGHUQWQXVFS-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.34
Rot. Bonds3

About N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide

N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 53111052) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide
PubChem CID53111052
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC NameN-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C19H21FN2O/c20-16-10-7-14(8-11-16)18-12-9-15(13-21-18)19(23)22-17-5-3-1-2-4-6-17/h7-13,17H,1-6H2,(H,22,23)
InChIKeyMRUXGHUQWQXVFS-UHFFFAOYSA-N
XLogP4.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide (CID 53111052) is N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide is O=C(NC1CCCCCC1)c1ccc(-c2ccc(F)cc2)nc1.
What is the InChIKey of N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is MRUXGHUQWQXVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c20-16-10-7-14(8-11-16)18-12-9-15(13-21-18)19(23)22-17-5-3-1-2-4-6-17/h7-13,17H,1-6H2,(H,22,23).
What are the key properties of N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide?
N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-(4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 53111052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).