1-[2-(dimethylamino)ethyl]-1-[(3-hydroxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)urea

C18H24N4O3 — CID 47848491

IUPAC1-[2-(dimethylamino)ethyl]-1-[(3-hydroxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)urea
SMILESCOc1ccc(NC(=O)N(CCN(C)C)Cc2cccc(O)c2)cn1
InChIInChI=1S/C18H24N4O3/c1-21(2)9-10-22(13-14-5-4-6-16(23)11-14)18(24)20-15-7-8-17(25-3)19-12-15/h4-8,11-12,23H,9-10,13H2,1-3H3,(H,20,24)
InChIKeyPLGLWTCXCNMDKG-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.39
Rot. Bonds7

About 1-[2-(dimethylamino)ethyl]-1-[(3-hydroxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)urea

1-[2-(dimethylamino)ethyl]-1-[(3-hydroxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)urea (PubChem CID 47848491) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-[(3-hydroxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-[(3-hydroxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)urea
PubChem CID47848491
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[2-(dimethylamino)ethyl]-1-[(3-hydroxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)urea
SMILESCOc1ccc(NC(=O)N(CCN(C)C)Cc2cccc(O)c2)cn1
InChIInChI=1S/C18H24N4O3/c1-21(2)9-10-22(13-14-5-4-6-16(23)11-14)18(24)20-15-7-8-17(25-3)19-12-15/h4-8,11-12,23H,9-10,13H2,1-3H3,(H,20,24)
InChIKeyPLGLWTCXCNMDKG-UHFFFAOYSA-N
XLogP2.39
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-[(3-hydroxyphenyl)methyl]urea
CID 60609367
3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 87009010
1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68563058
2-[ethyl-[(6-methoxy-3-pyridinyl)carbamoyl]amino]acetic acid
CID 61186914
1-[2-(dimethylamino)ethyl]-3-(3-propoxyphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87009632
1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea
CID 23931180
2-(3-aminophenyl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 62499152
3-(6-methoxy-3-pyridinyl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea
CID 118773691
3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 52662096
3-[(dimethylamino)methyl]-N-[6-(2-methoxyphenoxy)-3-pyridinyl]benzamide
CID 131946490
2-cyclopentylidene-N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]propanamide
CID 84592072
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-[(3-hydroxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-[(3-hydroxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)urea (CID 47848491) is 1-[2-(dimethylamino)ethyl]-1-[(3-hydroxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-[(3-hydroxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-[(3-hydroxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)urea is COc1ccc(NC(=O)N(CCN(C)C)Cc2cccc(O)c2)cn1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-[(3-hydroxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)urea?
The InChIKey is PLGLWTCXCNMDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-21(2)9-10-22(13-14-5-4-6-16(23)11-14)18(24)20-15-7-8-17(25-3)19-12-15/h4-8,11-12,23H,9-10,13H2,1-3H3,(H,20,24).
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-[(3-hydroxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)urea?
1-[2-(dimethylamino)ethyl]-1-[(3-hydroxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)urea has a molecular weight of 344.42 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-[(3-hydroxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)urea is sourced from PubChem (CID 47848491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).