N-[[4-[[2-[[3-(diethylamino)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]acetamide

C23H31FN6O4 — CID 23154356

IUPACN-[[4-[[2-[[3-(diethylamino)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]acetamide
SMILESCCN(CC)CCCN(C)C(=O)Nc1cc(Oc2ccc(NC(=O)NC(C)=O)cc2F)ccn1
InChIInChI=1S/C23H31FN6O4/c1-5-30(6-2)13-7-12-29(4)23(33)28-21-15-18(10-11-25-21)34-20-9-8-17(14-19(20)24)27-22(32)26-16(3)31/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,25,28,33)(H2,26,27,31,32)
InChIKeyOWFNFYHWAVJPPA-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.88
Rot. Bonds10

About N-[[4-[[2-[[3-(diethylamino)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]acetamide

N-[[4-[[2-[[3-(diethylamino)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]acetamide (PubChem CID 23154356) has the molecular formula C23H31FN6O4 and a molecular weight of 474.54 g/mol. Its IUPAC name is N-[[4-[[2-[[3-(diethylamino)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]acetamide.

Molecular Properties

Compound NameN-[[4-[[2-[[3-(diethylamino)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]acetamide
PubChem CID23154356
Molecular FormulaC23H31FN6O4
Molecular Weight474.54 g/mol
Exact Mass474.24
IUPAC NameN-[[4-[[2-[[3-(diethylamino)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]acetamide
SMILESCCN(CC)CCCN(C)C(=O)Nc1cc(Oc2ccc(NC(=O)NC(C)=O)cc2F)ccn1
InChIInChI=1S/C23H31FN6O4/c1-5-30(6-2)13-7-12-29(4)23(33)28-21-15-18(10-11-25-21)34-20-9-8-17(14-19(20)24)27-22(32)26-16(3)31/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,25,28,33)(H2,26,27,31,32)
InChIKeyOWFNFYHWAVJPPA-UHFFFAOYSA-N
XLogP3.88
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[[3-fluoro-4-[[2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-4-pyridinyl]oxy]phenyl]carbamothioyl]acetamide
CID 87652161
N-[[3-fluoro-4-[[2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-4-pyridinyl]oxy]phenyl]carbamothioyl]acetamide
CID 87651816
1-[3-(diethylamino)propyl]-3-[6-(2-fluoro-4-nitrophenoxy)pyrimidin-4-yl]-1-methylurea
CID 23153258
bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[[4-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]phenyl]carbamoyl]acetamide
CID 23153233
3-[4-(4-amino-2-fluorophenoxy)-2-pyridinyl]-1,1-dimethylurea
CID 23153283
1-[4-[[2-[4-[2-(diethylamino)ethyl]-1,2,4-triazol-3-yl]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(3,4-difluorophenyl)urea
CID 127047432
N-[4-[[2-[[ethyl(methyl)carbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
CID 123595848
N-[4-[2-fluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233803
1-(cyclopropylmethyl)-N-[4-[[2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 155177374
N-[4-[2-fluoro-4-[[3-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233904
N-[[3-fluoro-4-[[2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-4-pyridinyl]oxy]phenyl]carbamothioyl]-2-(2-fluorophenyl)acetamide
CID 59011650
1-[4-[[2-[4-[2-(diethylamino)ethyl]-1,2,4-triazol-3-yl]-4-pyridinyl]oxy]-3-fluorophenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 127047819

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-[[3-(diethylamino)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]acetamide?
The IUPAC name of N-[[4-[[2-[[3-(diethylamino)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]acetamide (CID 23154356) is N-[[4-[[2-[[3-(diethylamino)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]acetamide.
What is the SMILES notation for N-[[4-[[2-[[3-(diethylamino)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]acetamide?
The canonical SMILES for N-[[4-[[2-[[3-(diethylamino)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]acetamide is CCN(CC)CCCN(C)C(=O)Nc1cc(Oc2ccc(NC(=O)NC(C)=O)cc2F)ccn1.
What is the InChIKey of N-[[4-[[2-[[3-(diethylamino)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]acetamide?
The InChIKey is OWFNFYHWAVJPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN6O4/c1-5-30(6-2)13-7-12-29(4)23(33)28-21-15-18(10-11-25-21)34-20-9-8-17(14-19(20)24)27-22(32)26-16(3)31/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,25,28,33)(H2,26,27,31,32).
What are the key properties of N-[[4-[[2-[[3-(diethylamino)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]acetamide?
N-[[4-[[2-[[3-(diethylamino)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]acetamide has a molecular weight of 474.54 g/mol, XLogP of 3.88, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-[[3-(diethylamino)propyl-methylcarbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]acetamide is sourced from PubChem (CID 23154356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).