N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide

C26H26FN3O2 — CID 110229697

IUPACN-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C26H26FN3O2/c1-2-28-25(32)26(13-15-30(18-26)24(31)23-8-3-4-14-29-23)17-19-6-5-7-21(16-19)20-9-11-22(27)12-10-20/h3-12,14,16H,2,13,15,17-18H2,1H3,(H,28,32)
InChIKeyDXKZVCFHRCJVIE-UHFFFAOYSA-N
MW431.51 g/mol
LogP4.10
Rot. Bonds6

About N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide

N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 110229697) has the molecular formula C26H26FN3O2 and a molecular weight of 431.51 g/mol. Its IUPAC name is N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
PubChem CID110229697
Molecular FormulaC26H26FN3O2
Molecular Weight431.51 g/mol
Exact Mass431.20
IUPAC NameN-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C26H26FN3O2/c1-2-28-25(32)26(13-15-30(18-26)24(31)23-8-3-4-14-29-23)17-19-6-5-7-21(16-19)20-9-11-22(27)12-10-20/h3-12,14,16H,2,13,15,17-18H2,1H3,(H,28,32)
InChIKeyDXKZVCFHRCJVIE-UHFFFAOYSA-N
XLogP4.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxamide
CID 92592398
(3S)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-3-carboxamide
CID 92592397
(3S)-N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyrazine-2-carbonyl)pyrrolidine-3-carboxamide
CID 92592501
(3R)-N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-propanoylpyrrolidine-3-carboxamide
CID 92584975
(3R)-N-ethyl-1-(2-fluorobenzoyl)-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592440
(3R)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 92592444
(3S)-N-ethyl-3-[(3-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxamide
CID 92592317
N-ethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxamide
CID 110245826
(3R)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 92605455
N-ethyl-1-(1-ethylpyrazole-3-carbonyl)-3-[(3-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110243404
(3S)-N-ethyl-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592375
N-ethyl-3-[(3-phenylphenyl)methyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 110229783

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide (CID 110229697) is N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide is CCNC(=O)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)c2ccccn2)C1.
What is the InChIKey of N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is DXKZVCFHRCJVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O2/c1-2-28-25(32)26(13-15-30(18-26)24(31)23-8-3-4-14-29-23)17-19-6-5-7-21(16-19)20-9-11-22(27)12-10-20/h3-12,14,16H,2,13,15,17-18H2,1H3,(H,28,32).
What are the key properties of N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide?
N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 431.51 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110229697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).