N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]pyridine-4-carboxamide

C22H19F2N5O2 — CID 44553451

IUPACN-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1ccnc(N2CCN(Cc3cccnc3)C2=O)c1
InChIInChI=1S/C22H19F2N5O2/c23-18-4-3-15(10-19(18)24)13-27-21(30)17-5-7-26-20(11-17)29-9-8-28(22(29)31)14-16-2-1-6-25-12-16/h1-7,10-12H,8-9,13-14H2,(H,27,30)
InChIKeyZTKNCAYTYPDHIV-UHFFFAOYSA-N
MW423.42 g/mol
LogP3.13
Rot. Bonds6

About N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]pyridine-4-carboxamide

N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]pyridine-4-carboxamide (PubChem CID 44553451) has the molecular formula C22H19F2N5O2 and a molecular weight of 423.42 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]pyridine-4-carboxamide
PubChem CID44553451
Molecular FormulaC22H19F2N5O2
Molecular Weight423.42 g/mol
Exact Mass423.15
IUPAC NameN-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1ccnc(N2CCN(Cc3cccnc3)C2=O)c1
InChIInChI=1S/C22H19F2N5O2/c23-18-4-3-15(10-19(18)24)13-27-21(30)17-5-7-26-20(11-17)29-9-8-28(22(29)31)14-16-2-1-6-25-12-16/h1-7,10-12H,8-9,13-14H2,(H,27,30)
InChIKeyZTKNCAYTYPDHIV-UHFFFAOYSA-N
XLogP3.13
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]pyridine-4-carboxamide (CID 44553451) is N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]pyridine-4-carboxamide is O=C(NCc1ccc(F)c(F)c1)c1ccnc(N2CCN(Cc3cccnc3)C2=O)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]pyridine-4-carboxamide?
The InChIKey is ZTKNCAYTYPDHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O2/c23-18-4-3-15(10-19(18)24)13-27-21(30)17-5-7-26-20(11-17)29-9-8-28(22(29)31)14-16-2-1-6-25-12-16/h1-7,10-12H,8-9,13-14H2,(H,27,30).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]pyridine-4-carboxamide?
N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]pyridine-4-carboxamide has a molecular weight of 423.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 44553451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).