1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea

C19H24N4O2 — CID 124755518

IUPAC1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea
SMILESCCN1CCC[C@H]1CNC(=O)Nc1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C19H24N4O2/c1-2-23-12-4-5-16(23)13-21-19(24)22-15-7-9-17(10-8-15)25-18-6-3-11-20-14-18/h3,6-11,14,16H,2,4-5,12-13H2,1H3,(H2,21,22,24)/t16-/m0/s1
InChIKeyQQAIDMLTNOQLIU-INIZCTEOSA-N
MW340.43 g/mol
LogP3.48
Rot. Bonds6

About 1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea

1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea (PubChem CID 124755518) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea
PubChem CID124755518
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea
SMILESCCN1CCC[C@H]1CNC(=O)Nc1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C19H24N4O2/c1-2-23-12-4-5-16(23)13-21-19(24)22-15-7-9-17(10-8-15)25-18-6-3-11-20-14-18/h3,6-11,14,16H,2,4-5,12-13H2,1H3,(H2,21,22,24)/t16-/m0/s1
InChIKeyQQAIDMLTNOQLIU-INIZCTEOSA-N
XLogP3.48
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylphenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 60724313
2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(4-pyridin-3-yloxyphenyl)acetamide
CID 92612941
N'-(4-ethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 7255910
N'-(4-ethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
CID 3156748
(2S)-1-[(E)-2-methylbut-2-enyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 42533238
N-(4-pyridin-3-yloxyphenyl)cyclopentanecarboxamide
CID 154837757
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-hydroxyphenyl)oxamide
CID 45495161
1-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 45208265
(2R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 42522707
N-[2-[[N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111262245
1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 3157143
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea?
The IUPAC name of 1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea (CID 124755518) is 1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea.
What is the SMILES notation for 1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea?
The canonical SMILES for 1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea is CCN1CCC[C@H]1CNC(=O)Nc1ccc(Oc2cccnc2)cc1.
What is the InChIKey of 1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea?
The InChIKey is QQAIDMLTNOQLIU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-23-12-4-5-16(23)13-21-19(24)22-15-7-9-17(10-8-15)25-18-6-3-11-20-14-18/h3,6-11,14,16H,2,4-5,12-13H2,1H3,(H2,21,22,24)/t16-/m0/s1.
What are the key properties of 1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea?
1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea has a molecular weight of 340.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea is sourced from PubChem (CID 124755518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).