N-(4-fluorophenyl)-N'-[2-methyl-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide

C26H26FN5O4 — CID 23153588

IUPACN-(4-fluorophenyl)-N'-[2-methyl-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide
SMILESCc1cc(Oc2ccnc(NC(=O)N3CCCC3)c2)ccc1NC(=O)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C26H26FN5O4/c1-17-14-20(36-21-10-11-28-23(15-21)31-26(35)32-12-2-3-13-32)8-9-22(17)30-25(34)16-24(33)29-19-6-4-18(27)5-7-19/h4-11,14-15H,2-3,12-13,16H2,1H3,(H,29,33)(H,30,34)(H,28,31,35)
InChIKeyZWBCBEQUCQCPKT-UHFFFAOYSA-N
MW491.52 g/mol
LogP4.92
Rot. Bonds7

About N-(4-fluorophenyl)-N'-[2-methyl-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide

N-(4-fluorophenyl)-N'-[2-methyl-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide (PubChem CID 23153588) has the molecular formula C26H26FN5O4 and a molecular weight of 491.52 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-[2-methyl-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-[2-methyl-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide
PubChem CID23153588
Molecular FormulaC26H26FN5O4
Molecular Weight491.52 g/mol
Exact Mass491.20
IUPAC NameN-(4-fluorophenyl)-N'-[2-methyl-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide
SMILESCc1cc(Oc2ccnc(NC(=O)N3CCCC3)c2)ccc1NC(=O)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C26H26FN5O4/c1-17-14-20(36-21-10-11-28-23(15-21)31-26(35)32-12-2-3-13-32)8-9-22(17)30-25(34)16-24(33)29-19-6-4-18(27)5-7-19/h4-11,14-15H,2-3,12-13,16H2,1H3,(H,29,33)(H,30,34)(H,28,31,35)
InChIKeyZWBCBEQUCQCPKT-UHFFFAOYSA-N
XLogP4.92
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.52
LogP ≤ 54.92
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

[4-[3-fluoro-4-[[3-(4-fluoroanilino)-3-oxopropanoyl]amino]phenoxy]-2-pyridinyl]carbamic acid
CID 23153247
N'-[3-chloro-4-[[2-(morpholine-4-carbonylamino)-4-pyridinyl]oxy]phenyl]-N-(4-fluorophenyl)propanediamide
CID 23153290
N-[4-[3-fluoro-4-[[2-[1-[2-(4-fluoroanilino)-2-oxoethyl]cyclopropyl]acetyl]amino]phenoxy]-2-pyridinyl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide;hydrochloride
CID 131730212
N-cycloheptyl-N'-[3-fluoro-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide
CID 23153391
N-[4-[4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 23152968
1-N'-[2-fluoro-4-[[2-[(4-methoxypiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 59596955
4-[2-(dimethylamino)ethyl]-N-[4-[4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]piperazine-1-carboxamide
CID 23153171
N-(4-fluorophenyl)-N'-[3-fluoro-4-[6-(pyrrolidine-1-carbonylamino)pyrimidin-4-yl]oxyphenyl]propanediamide
CID 23153359
1-N'-[4-[[2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-pyridinyl]oxy]-2-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 59597014
1-N-[4-[[2-[[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 59596908
1-N-(4-fluorophenyl)-1-N'-[2-fluoro-4-[[2-[(4-piperazin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
CID 59596932
N'-[4-[(2-amino-4-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)propanediamide
CID 23153165

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-[2-methyl-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide?
The IUPAC name of N-(4-fluorophenyl)-N'-[2-methyl-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide (CID 23153588) is N-(4-fluorophenyl)-N'-[2-methyl-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-[2-methyl-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-[2-methyl-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide is Cc1cc(Oc2ccnc(NC(=O)N3CCCC3)c2)ccc1NC(=O)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N'-[2-methyl-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide?
The InChIKey is ZWBCBEQUCQCPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O4/c1-17-14-20(36-21-10-11-28-23(15-21)31-26(35)32-12-2-3-13-32)8-9-22(17)30-25(34)16-24(33)29-19-6-4-18(27)5-7-19/h4-11,14-15H,2-3,12-13,16H2,1H3,(H,29,33)(H,30,34)(H,28,31,35).
What are the key properties of N-(4-fluorophenyl)-N'-[2-methyl-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide?
N-(4-fluorophenyl)-N'-[2-methyl-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide has a molecular weight of 491.52 g/mol, XLogP of 4.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-[2-methyl-4-[[2-(pyrrolidine-1-carbonylamino)-4-pyridinyl]oxy]phenyl]propanediamide is sourced from PubChem (CID 23153588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).