N-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide

C19H20FN3O2 — CID 109080350

IUPACN-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cc(C(=O)N2CCCC2)ccn1
InChIInChI=1S/C19H20FN3O2/c20-16-5-3-14(4-6-16)7-9-22-18(24)17-13-15(8-10-21-17)19(25)23-11-1-2-12-23/h3-6,8,10,13H,1-2,7,9,11-12H2,(H,22,24)
InChIKeyGKHHOTNQEIUYJP-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.43
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide

N-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109080350) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109080350
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cc(C(=O)N2CCCC2)ccn1
InChIInChI=1S/C19H20FN3O2/c20-16-5-3-14(4-6-16)7-9-22-18(24)17-13-15(8-10-21-17)19(25)23-11-1-2-12-23/h3-6,8,10,13H,1-2,7,9,11-12H2,(H,22,24)
InChIKeyGKHHOTNQEIUYJP-UHFFFAOYSA-N
XLogP2.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086566
4-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109089068
2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077658
4-(4-acetylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109084860
N-[2-(4-fluorophenyl)ethyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094790
N-[(4-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084148
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086488
N-[2-(4-fluorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214099
4-(azepane-1-carbonyl)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109083611
N-[(4-fluorophenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109086578
4-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109084053

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (CID 109080350) is N-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is O=C(NCCc1ccc(F)cc1)c1cc(C(=O)N2CCCC2)ccn1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is GKHHOTNQEIUYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-16-5-3-14(4-6-16)7-9-22-18(24)17-13-15(8-10-21-17)19(25)23-11-1-2-12-23/h3-6,8,10,13H,1-2,7,9,11-12H2,(H,22,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109080350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).