2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyridine-4-carboxamide

C21H21FN6O2 — CID 141255919

IUPAC2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyridine-4-carboxamide
SMILESCc1cnc(CNC(=O)c2ccnc(N3CCN(Cc4ccc(F)cc4)C3=O)c2)[nH]1
InChIInChI=1S/C21H21FN6O2/c1-14-11-24-18(26-14)12-25-20(29)16-6-7-23-19(10-16)28-9-8-27(21(28)30)13-15-2-4-17(22)5-3-15/h2-7,10-11H,8-9,12-13H2,1H3,(H,24,26)(H,25,29)
InChIKeyIXDVXELOCOVYHN-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.62
Rot. Bonds6

About 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyridine-4-carboxamide

2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 141255919) has the molecular formula C21H21FN6O2 and a molecular weight of 408.44 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyridine-4-carboxamide
PubChem CID141255919
Molecular FormulaC21H21FN6O2
Molecular Weight408.44 g/mol
Exact Mass408.17
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyridine-4-carboxamide
SMILESCc1cnc(CNC(=O)c2ccnc(N3CCN(Cc4ccc(F)cc4)C3=O)c2)[nH]1
InChIInChI=1S/C21H21FN6O2/c1-14-11-24-18(26-14)12-25-20(29)16-6-7-23-19(10-16)28-9-8-27(21(28)30)13-15-2-4-17(22)5-3-15/h2-7,10-11H,8-9,12-13H2,1H3,(H,24,26)(H,25,29)
InChIKeyIXDVXELOCOVYHN-UHFFFAOYSA-N
XLogP2.62
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 141255917
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-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 44552917
methyl 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]pyridine-4-carboxylate
CID 58247772
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-(5-methyl-1,2,4-oxadiazol-3-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
CID 58247869
1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylimidazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
CID 58247786
1-[4-[3-(3-bromo-1,2-oxazol-5-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
CID 58247820
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 59481201
5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide
CID 59481182
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-[(5-methyl-1H-imidazol-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyridine-4-carboxamide (CID 141255919) is 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyridine-4-carboxamide is Cc1cnc(CNC(=O)c2ccnc(N3CCN(Cc4ccc(F)cc4)C3=O)c2)[nH]1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is IXDVXELOCOVYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O2/c1-14-11-24-18(26-14)12-25-20(29)16-6-7-23-19(10-16)28-9-8-27(21(28)30)13-15-2-4-17(22)5-3-15/h2-7,10-11H,8-9,12-13H2,1H3,(H,24,26)(H,25,29).
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyridine-4-carboxamide?
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 408.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 141255919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).