N-[[4-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide

C24H23F2N5O4 — CID 59011619

IUPACN-[[4-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
SMILESCN(C)CC(=O)Nc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)c(F)c2)ccn1
InChIInChI=1S/C24H23F2N5O4/c1-31(2)14-23(33)29-21-13-18(9-10-27-21)35-17-7-8-20(19(26)12-17)28-24(34)30-22(32)11-15-3-5-16(25)6-4-15/h3-10,12-13H,11,14H2,1-2H3,(H,27,29,33)(H2,28,30,32,34)
InChIKeyPCIDYERLWNOKSH-UHFFFAOYSA-N
MW483.48 g/mol
LogP3.54
Rot. Bonds8

About N-[[4-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide

N-[[4-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide (PubChem CID 59011619) has the molecular formula C24H23F2N5O4 and a molecular weight of 483.48 g/mol. Its IUPAC name is N-[[4-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[4-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
PubChem CID59011619
Molecular FormulaC24H23F2N5O4
Molecular Weight483.48 g/mol
Exact Mass483.17
IUPAC NameN-[[4-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
SMILESCN(C)CC(=O)Nc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)c(F)c2)ccn1
InChIInChI=1S/C24H23F2N5O4/c1-31(2)14-23(33)29-21-13-18(9-10-27-21)35-17-7-8-20(19(26)12-17)28-24(34)30-22(32)11-15-3-5-16(25)6-4-15/h3-10,12-13H,11,14H2,1-2H3,(H,27,29,33)(H2,28,30,32,34)
InChIKeyPCIDYERLWNOKSH-UHFFFAOYSA-N
XLogP3.54
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.48
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[(2-amino-4-pyridinyl)oxy]-2-chlorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 25195958
[4-[3-fluoro-4-[[3-(4-fluoroanilino)-3-oxopropanoyl]amino]phenoxy]-2-pyridinyl]carbamic acid
CID 23153247
4-[2-(dimethylamino)ethyl]-N-[4-[4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]piperazine-1-carboxamide
CID 23153171
[4-[3-fluoro-4-[(2-phenylacetyl)carbamoylamino]phenoxy]-2-pyridinyl] 4-(dimethylamino)piperidine-1-carboxylate
CID 123196111
N-[4-[4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 23152968
[4-(1-methylazetidin-3-yl)piperazin-1-yl] N-[4-[4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]carbamate
CID 67984345
N-[[4-[(2-amino-4-pyridinyl)oxy]-2-methoxyphenyl]carbamothioyl]-2-(4-fluorophenyl)acetamide
CID 59011630
1-N'-[4-[[2-[[3-(azetidin-1-yl)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 59596904
N-[4-[3-fluoro-4-(methylaminomethylamino)phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 134409049
4-[4-[(2,5-difluorophenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 131953293
N-[4-[3-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233838
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

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[[4-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide (CID 59011619) is N-[[4-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[[4-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[[4-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide is CN(C)CC(=O)Nc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)c(F)c2)ccn1.
What is the InChIKey of N-[[4-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is PCIDYERLWNOKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O4/c1-31(2)14-23(33)29-21-13-18(9-10-27-21)35-17-7-8-20(19(26)12-17)28-24(34)30-22(32)11-15-3-5-16(25)6-4-15/h3-10,12-13H,11,14H2,1-2H3,(H,27,29,33)(H2,28,30,32,34).
What are the key properties of N-[[4-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide?
N-[[4-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 483.48 g/mol, XLogP of 3.54, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 59011619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).