2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide

C21H20FN5O2 — CID 141255917

IUPAC2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1cc[nH]c1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C21H20FN5O2/c22-18-3-1-15(2-4-18)14-26-9-10-27(21(26)29)19-11-17(6-8-24-19)20(28)25-13-16-5-7-23-12-16/h1-8,11-12,23H,9-10,13-14H2,(H,25,28)
InChIKeyCFKKFUDFGOJNRW-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.92
Rot. Bonds6

About 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide

2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 141255917) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
PubChem CID141255917
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1cc[nH]c1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C21H20FN5O2/c22-18-3-1-15(2-4-18)14-26-9-10-27(21(26)29)19-11-17(6-8-24-19)20(28)25-13-16-5-7-23-12-16/h1-8,11-12,23H,9-10,13-14H2,(H,25,28)
InChIKeyCFKKFUDFGOJNRW-UHFFFAOYSA-N
XLogP2.92
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide
CID 141255918
N-(cyclopropylmethyl)-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]pyridine-4-carboxamide
CID 44553109
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyridine-4-carboxamide
CID 141255919
methyl 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]pyridine-4-carboxylate
CID 58247772
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 44552917
N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]pyridine-4-carboxamide
CID 44553451
1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylimidazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
CID 58247786
2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 106384825
1-[(4-fluorophenyl)methyl]-3-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
CID 58247869
2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 106384629
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 59481201
N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]-1,5-dimethylpyrazole-3-carboxamide
CID 53187605

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide (CID 141255917) is 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide is O=C(NCc1cc[nH]c1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is CFKKFUDFGOJNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-18-3-1-15(2-4-18)14-26-9-10-27(21(26)29)19-11-17(6-8-24-19)20(28)25-13-16-5-7-23-12-16/h1-8,11-12,23H,9-10,13-14H2,(H,25,28).
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide?
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 141255917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).