N-cycloheptyl-N'-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide

C26H32FN5O4 — CID 23153391

IUPACN-cycloheptyl-N'-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide
SMILESO=C(CC(=O)NC1CCCCCC1)Nc1ccc(Oc2ccnc(NC(=O)N3CCCC3)c2)c(F)c1
InChIInChI=1S/C26H32FN5O4/c27-21-15-19(30-25(34)17-24(33)29-18-7-3-1-2-4-8-18)9-10-22(21)36-20-11-12-28-23(16-20)31-26(35)32-13-5-6-14-32/h9-12,15-16,18H,1-8,13-14,17H2,(H,29,33)(H,30,34)(H,28,31,35)
InChIKeyKWNZPAPTQHTUPY-UHFFFAOYSA-N
MW497.57 g/mol
LogP4.81
Rot. Bonds7

About N-cycloheptyl-N'-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide

N-cycloheptyl-N'-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide (PubChem CID 23153391) has the molecular formula C26H32FN5O4 and a molecular weight of 497.57 g/mol. Its IUPAC name is N-cycloheptyl-N'-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide.

Molecular Properties

Compound NameN-cycloheptyl-N'-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide
PubChem CID23153391
Molecular FormulaC26H32FN5O4
Molecular Weight497.57 g/mol
Exact Mass497.24
IUPAC NameN-cycloheptyl-N'-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide
SMILESO=C(CC(=O)NC1CCCCCC1)Nc1ccc(Oc2ccnc(NC(=O)N3CCCC3)c2)c(F)c1
InChIInChI=1S/C26H32FN5O4/c27-21-15-19(30-25(34)17-24(33)29-18-7-3-1-2-4-8-18)9-10-22(21)36-20-11-12-28-23(16-20)31-26(35)32-13-5-6-14-32/h9-12,15-16,18H,1-8,13-14,17H2,(H,29,33)(H,30,34)(H,28,31,35)
InChIKeyKWNZPAPTQHTUPY-UHFFFAOYSA-N
XLogP4.81
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-fluoro-4-nitrosophenoxy)-2-pyridinyl]pyrrolidine-1-carboxamide
CID 89003451
N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-3-phenyl-2-sulfanylideneimidazolidine-1-carboxamide
CID 59823034
N'-[3-chloro-4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]-N-(4-fluorophenyl)propanediamide
CID 23153290
N-(4-fluorophenyl)-N'-[3-fluoro-4-[6-(pyrrolidine-1-carbonylamino)pyrimidin-4-yl]oxyphenyl]propanediamide
CID 23153359
N-(4-fluorophenyl)-N'-[2-methyl-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide
CID 23153588
N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 86602173
N-(4-fluorophenyl)-N'-[3-fluoro-4-[6-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]pyrimidin-4-yl]oxyphenyl]propanediamide
CID 23153166
N-[4-[[2-(azetidine-1-carbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 155177372
N-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]-2-oxo-1-phenyl-5-pyrazin-2-ylpyridine-3-carboxamide
CID 58268724
N-[4-[2-fluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233803
3-amino-N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-methyl-2-oxo-1H-imidazole-5-carbonyl]amino]phenoxy]-2-pyridinyl]piperidine-1-carboxamide
CID 175548235
3-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluoroanilino]-3-oxopropanoic acid
CID 141149507

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide?
The IUPAC name of N-cycloheptyl-N'-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide (CID 23153391) is N-cycloheptyl-N'-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide.
What is the SMILES notation for N-cycloheptyl-N'-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide?
The canonical SMILES for N-cycloheptyl-N'-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide is O=C(CC(=O)NC1CCCCCC1)Nc1ccc(Oc2ccnc(NC(=O)N3CCCC3)c2)c(F)c1.
What is the InChIKey of N-cycloheptyl-N'-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide?
The InChIKey is KWNZPAPTQHTUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O4/c27-21-15-19(30-25(34)17-24(33)29-18-7-3-1-2-4-8-18)9-10-22(21)36-20-11-12-28-23(16-20)31-26(35)32-13-5-6-14-32/h9-12,15-16,18H,1-8,13-14,17H2,(H,29,33)(H,30,34)(H,28,31,35).
What are the key properties of N-cycloheptyl-N'-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide?
N-cycloheptyl-N'-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide has a molecular weight of 497.57 g/mol, XLogP of 4.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide is sourced from PubChem (CID 23153391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).