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

C18H18FN3O2 — CID 109094778

IUPACN-[(2-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1F)c1cccc(C(=O)N2CCCC2)n1
InChIInChI=1S/C18H18FN3O2/c19-14-7-2-1-6-13(14)12-20-17(23)15-8-5-9-16(21-15)18(24)22-10-3-4-11-22/h1-2,5-9H,3-4,10-12H2,(H,20,23)
InChIKeyKAMHJRVCLHYINI-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.39
Rot. Bonds4

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

N-[(2-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109094778) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109094778
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC NameN-[(2-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1F)c1cccc(C(=O)N2CCCC2)n1
InChIInChI=1S/C18H18FN3O2/c19-14-7-2-1-6-13(14)12-20-17(23)15-8-5-9-16(21-15)18(24)22-10-3-4-11-22/h1-2,5-9H,3-4,10-12H2,(H,20,23)
InChIKeyKAMHJRVCLHYINI-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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Related Compounds

N-[(2-fluorophenyl)methyl]-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096898
6-fluoro-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496596
N-(pyridin-4-ylmethyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094786
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 126800576
N-[2-(4-fluorophenyl)ethyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094790
N-[(2-fluorophenyl)methyl]-3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109074623
6-(pyrrolidine-1-carbonyl)-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)pyridine-2-carboxamide
CID 126805675
6-N-butan-2-yl-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109094593
N-[(2-fluorophenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102853
N-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095159
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
N-(2-methylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109094386

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (CID 109094778) is N-[(2-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is O=C(NCc1ccccc1F)c1cccc(C(=O)N2CCCC2)n1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is KAMHJRVCLHYINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-14-7-2-1-6-13(14)12-20-17(23)15-8-5-9-16(21-15)18(24)22-10-3-4-11-22/h1-2,5-9H,3-4,10-12H2,(H,20,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
N-[(2-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-[(2-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109094778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).