N-[(3-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide

C18H18FN3O2 — CID 56794566

IUPACN-[(3-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1cccc(C(=O)N2CCCC2)n1
InChIInChI=1S/C18H18FN3O2/c19-14-6-3-5-13(11-14)12-20-17(23)15-7-4-8-16(21-15)18(24)22-9-1-2-10-22/h3-8,11H,1-2,9-10,12H2,(H,20,23)
InChIKeyRKBLGQOVNTUVEW-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.39
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide

N-[(3-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 56794566) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID56794566
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN-[(3-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1cccc(C(=O)N2CCCC2)n1
InChIInChI=1S/C18H18FN3O2/c19-14-6-3-5-13(11-14)12-20-17(23)15-7-4-8-16(21-15)18(24)22-9-1-2-10-22/h3-8,11H,1-2,9-10,12H2,(H,20,23)
InChIKeyRKBLGQOVNTUVEW-UHFFFAOYSA-N
XLogP2.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (CID 56794566) is N-[(3-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is O=C(NCc1cccc(F)c1)c1cccc(C(=O)N2CCCC2)n1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is RKBLGQOVNTUVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-14-6-3-5-13(11-14)12-20-17(23)15-7-4-8-16(21-15)18(24)22-9-1-2-10-22/h3-8,11H,1-2,9-10,12H2,(H,20,23).
What are the key properties of N-[(3-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
N-[(3-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 56794566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).