N-[[6-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide

C21H17F2N5O2 — CID 178023408

IUPACN-[[6-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCN(c3cc(F)cc(F)c3)C2=O)nc1)c1cccnc1
InChIInChI=1S/C21H17F2N5O2/c22-16-8-17(23)10-18(9-16)27-6-7-28(21(27)30)19-4-3-14(11-25-19)12-26-20(29)15-2-1-5-24-13-15/h1-5,8-11,13H,6-7,12H2,(H,26,29)
InChIKeyXYALIPYOURNMNH-UHFFFAOYSA-N
MW409.40 g/mol
LogP3.13
Rot. Bonds5

About N-[[6-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide

N-[[6-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide (PubChem CID 178023408) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is N-[[6-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide
PubChem CID178023408
Molecular FormulaC21H17F2N5O2
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC NameN-[[6-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCN(c3cc(F)cc(F)c3)C2=O)nc1)c1cccnc1
InChIInChI=1S/C21H17F2N5O2/c22-16-8-17(23)10-18(9-16)27-6-7-28(21(27)30)19-4-3-14(11-25-19)12-26-20(29)15-2-1-5-24-13-15/h1-5,8-11,13H,6-7,12H2,(H,26,29)
InChIKeyXYALIPYOURNMNH-UHFFFAOYSA-N
XLogP3.13
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 178023317
N-[[6-[3-[(4-chlorophenyl)methylcarbamoyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 178023252
N-[[6-(5-fluoro-3-oxo-1H-isoindol-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 178023288
N-[[6-[2-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methyl]imidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 178023261
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157937
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 86821194
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]pyridine-4-carboxamide
CID 44553451
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234
N-benzylpyridine-3-carboxamide chloride
CID 21204170
4-[[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 53135643
N-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide
CID 110481998

Frequently Asked Questions

What is the IUPAC name of N-[[6-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[6-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide (CID 178023408) is N-[[6-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[6-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc(N2CCN(c3cc(F)cc(F)c3)C2=O)nc1)c1cccnc1.
What is the InChIKey of N-[[6-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide?
The InChIKey is XYALIPYOURNMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c22-16-8-17(23)10-18(9-16)27-6-7-28(21(27)30)19-4-3-14(11-25-19)12-26-20(29)15-2-1-5-24-13-15/h1-5,8-11,13H,6-7,12H2,(H,26,29).
What are the key properties of N-[[6-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide?
N-[[6-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide has a molecular weight of 409.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 178023408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).