N-[[6-[2-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methyl]imidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide

C20H20F3N5O2 — CID 178023261

IUPACN-[[6-[2-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methyl]imidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCN(CC3(C(F)(F)F)CC3)C2=O)nc1)c1cccnc1
InChIInChI=1S/C20H20F3N5O2/c21-20(22,23)19(5-6-19)13-27-8-9-28(18(27)30)16-4-3-14(10-25-16)11-26-17(29)15-2-1-7-24-12-15/h1-4,7,10,12H,5-6,8-9,11,13H2,(H,26,29)
InChIKeyGSTLOSUURDYBAO-UHFFFAOYSA-N
MW419.41 g/mol
LogP2.99
Rot. Bonds6

About N-[[6-[2-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methyl]imidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide

N-[[6-[2-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methyl]imidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide (PubChem CID 178023261) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is N-[[6-[2-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methyl]imidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-[2-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methyl]imidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide
PubChem CID178023261
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC NameN-[[6-[2-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methyl]imidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCN(CC3(C(F)(F)F)CC3)C2=O)nc1)c1cccnc1
InChIInChI=1S/C20H20F3N5O2/c21-20(22,23)19(5-6-19)13-27-8-9-28(18(27)30)16-4-3-14(10-25-16)11-26-17(29)15-2-1-7-24-12-15/h1-4,7,10,12H,5-6,8-9,11,13H2,(H,26,29)
InChIKeyGSTLOSUURDYBAO-UHFFFAOYSA-N
XLogP2.99
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-[2-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methyl]imidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[[6-[3-(3,5-difluorophenyl)-2-oxoimidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 178023408
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-methylimidazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 86821194
N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(pyridin-3-ylmethyl)imidazolidin-1-yl]pyridine-4-carboxamide
CID 44553451
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157937
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 53159101
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

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methyl]imidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[6-[2-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methyl]imidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide (CID 178023261) is N-[[6-[2-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methyl]imidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-[2-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methyl]imidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[6-[2-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methyl]imidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc(N2CCN(CC3(C(F)(F)F)CC3)C2=O)nc1)c1cccnc1.
What is the InChIKey of N-[[6-[2-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methyl]imidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide?
The InChIKey is GSTLOSUURDYBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c21-20(22,23)19(5-6-19)13-27-8-9-28(18(27)30)16-4-3-14(10-25-16)11-26-17(29)15-2-1-7-24-12-15/h1-4,7,10,12H,5-6,8-9,11,13H2,(H,26,29).
What are the key properties of N-[[6-[2-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methyl]imidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide?
N-[[6-[2-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methyl]imidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide has a molecular weight of 419.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-oxo-3-[[1-(trifluoromethyl)cyclopropyl]methyl]imidazolidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 178023261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).