1-(2-ethoxy-4-fluorophenyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea

C19H23FN4O2 — CID 55794563

IUPAC1-(2-ethoxy-4-fluorophenyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
SMILESCCOc1cc(F)ccc1NC(=O)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C19H23FN4O2/c1-2-26-17-11-15(20)6-7-16(17)23-19(25)22-13-14-5-8-18(21-12-14)24-9-3-4-10-24/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,22,23,25)
InChIKeyQNEGQVHNRMMWBW-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.54
Rot. Bonds6

About 1-(2-ethoxy-4-fluorophenyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea

1-(2-ethoxy-4-fluorophenyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea (PubChem CID 55794563) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-(2-ethoxy-4-fluorophenyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(2-ethoxy-4-fluorophenyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
PubChem CID55794563
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name1-(2-ethoxy-4-fluorophenyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
SMILESCCOc1cc(F)ccc1NC(=O)NCc1ccc(N2CCCC2)nc1
InChIInChI=1S/C19H23FN4O2/c1-2-26-17-11-15(20)6-7-16(17)23-19(25)22-13-14-5-8-18(21-12-14)24-9-3-4-10-24/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,22,23,25)
InChIKeyQNEGQVHNRMMWBW-UHFFFAOYSA-N
XLogP3.54
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-ethoxy-4-fluorophenyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-(4-fluoro-2-methylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 86987548
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-ethoxy-3-pyridinyl)urea
CID 55743790
1-[1-(2,4-difluorophenyl)ethyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
CID 55738522
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-chloro-4-methoxyphenyl)urea
CID 86862774
1-(2-methoxyphenyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 41430289
4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735122
2-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 46598711
1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 110892395
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-chloro-4-fluorophenoxy)propanamide
CID 55972764
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
1-(2-ethoxyphenyl)-3-[6-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]urea
CID 42857738
1-(2-cyano-4-fluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 78894419

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-fluorophenyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-(2-ethoxy-4-fluorophenyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea (CID 55794563) is 1-(2-ethoxy-4-fluorophenyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(2-ethoxy-4-fluorophenyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-(2-ethoxy-4-fluorophenyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea is CCOc1cc(F)ccc1NC(=O)NCc1ccc(N2CCCC2)nc1.
What is the InChIKey of 1-(2-ethoxy-4-fluorophenyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The InChIKey is QNEGQVHNRMMWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-2-26-17-11-15(20)6-7-16(17)23-19(25)22-13-14-5-8-18(21-12-14)24-9-3-4-10-24/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,22,23,25).
What are the key properties of 1-(2-ethoxy-4-fluorophenyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
1-(2-ethoxy-4-fluorophenyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 358.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4-fluorophenyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 55794563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).