1-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)-3-phenylurea

C18H23N4O2+ — CID 5211914

IUPAC1-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)-3-phenylurea
SMILESO=C(NCC(c1cccnc1)[NH+]1CCOCC1)Nc1ccccc1
InChIInChI=1S/C18H22N4O2/c23-18(21-16-6-2-1-3-7-16)20-14-17(15-5-4-8-19-13-15)22-9-11-24-12-10-22/h1-8,13,17H,9-12,14H2,(H2,20,21,23)/p+1
InChIKeySCOYYLUSVCRBQZ-UHFFFAOYSA-O
MW327.41 g/mol
LogP0.86
Rot. Bonds5

About 1-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)-3-phenylurea

1-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)-3-phenylurea (PubChem CID 5211914) has the molecular formula C18H23N4O2+ and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)-3-phenylurea
PubChem CID5211914
Molecular FormulaC18H23N4O2+
Molecular Weight327.41 g/mol
Exact Mass327.18
IUPAC Name1-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)-3-phenylurea
SMILESO=C(NCC(c1cccnc1)[NH+]1CCOCC1)Nc1ccccc1
InChIInChI=1S/C18H22N4O2/c23-18(21-16-6-2-1-3-7-16)20-14-17(15-5-4-8-19-13-15)22-9-11-24-12-10-22/h1-8,13,17H,9-12,14H2,(H2,20,21,23)/p+1
InChIKeySCOYYLUSVCRBQZ-UHFFFAOYSA-O
XLogP0.86
TPSA67.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-3-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)urea
CID 5211916
1-(2-hydroxy-2-pyridin-3-ylethyl)-3-phenylurea
CID 23996231
N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide
CID 3503410
1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea
CID 18101910
1-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-phenylurea
CID 7384638
1-[2-(azepan-1-yl)-2-phenylethyl]-3-pyridin-3-ylurea
CID 118775624
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-pyridin-3-ylurea
CID 18101833
1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylurea
CID 2325919
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
1-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]-3-(4-methylphenyl)urea
CID 92892988
N-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 4067157
phenyl N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]carbamate
CID 7496993

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)-3-phenylurea?
The IUPAC name of 1-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)-3-phenylurea (CID 5211914) is 1-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)-3-phenylurea.
What is the SMILES notation for 1-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)-3-phenylurea?
The canonical SMILES for 1-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)-3-phenylurea is O=C(NCC(c1cccnc1)[NH+]1CCOCC1)Nc1ccccc1.
What is the InChIKey of 1-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)-3-phenylurea?
The InChIKey is SCOYYLUSVCRBQZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22N4O2/c23-18(21-16-6-2-1-3-7-16)20-14-17(15-5-4-8-19-13-15)22-9-11-24-12-10-22/h1-8,13,17H,9-12,14H2,(H2,20,21,23)/p+1.
What are the key properties of 1-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)-3-phenylurea?
1-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)-3-phenylurea has a molecular weight of 327.41 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)-3-phenylurea is sourced from PubChem (CID 5211914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).