1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(1-pyridin-3-ylethyl)urea

C19H26N4O2 — CID 4602048

IUPAC1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(1-pyridin-3-ylethyl)urea
SMILESCOc1cccc(NC(=O)N(CCN(C)C)C(C)c2cccnc2)c1
InChIInChI=1S/C19H26N4O2/c1-15(16-7-6-10-20-14-16)23(12-11-22(2)3)19(24)21-17-8-5-9-18(13-17)25-4/h5-10,13-15H,11-12H2,1-4H3,(H,21,24)
InChIKeyDSKCUZKZABNRJU-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.25
Rot. Bonds7

About 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(1-pyridin-3-ylethyl)urea

1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(1-pyridin-3-ylethyl)urea (PubChem CID 4602048) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(1-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(1-pyridin-3-ylethyl)urea
PubChem CID4602048
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(1-pyridin-3-ylethyl)urea
SMILESCOc1cccc(NC(=O)N(CCN(C)C)C(C)c2cccnc2)c1
InChIInChI=1S/C19H26N4O2/c1-15(16-7-6-10-20-14-16)23(12-11-22(2)3)19(24)21-17-8-5-9-18(13-17)25-4/h5-10,13-15H,11-12H2,1-4H3,(H,21,24)
InChIKeyDSKCUZKZABNRJU-UHFFFAOYSA-N
XLogP3.25
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-((5-(2-Oxo-3-(Pyridin-4-Yl)imidazolidin-1-Yl)pentyl)oxy)benzaldehyde O-Ethyl Oxime
CID 10250152
Rho-Kinase-IN-2
CID 155749520
4-(3-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 155749636
1-[5-[4-[(Z)-ethoxyiminomethyl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
CID 58934084
1-[(5-Fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 168286940
N-(4-methoxybenzyl)-N'-(pyridin-3-ylmethyl)ethanediamide
CID 3113974
1-(4-Methoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 846930
1-(4-Methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3802701
1-[2-Methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine
CID 25263310
1-Methyl-1-(1-methyl-2-pyridin-4-yl-ethyl)-3-(4-phenoxy-phenyl)-urea
CID 10915401
1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]imidazolidin-2-one
CID 91799322
1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]phenoxy]pentyl]imidazolidin-2-one
CID 155536334

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(1-pyridin-3-ylethyl)urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(1-pyridin-3-ylethyl)urea (CID 4602048) is 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(1-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(1-pyridin-3-ylethyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(1-pyridin-3-ylethyl)urea is COc1cccc(NC(=O)N(CCN(C)C)C(C)c2cccnc2)c1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(1-pyridin-3-ylethyl)urea?
The InChIKey is DSKCUZKZABNRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15(16-7-6-10-20-14-16)23(12-11-22(2)3)19(24)21-17-8-5-9-18(13-17)25-4/h5-10,13-15H,11-12H2,1-4H3,(H,21,24).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(1-pyridin-3-ylethyl)urea?
1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(1-pyridin-3-ylethyl)urea has a molecular weight of 342.44 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-(1-pyridin-3-ylethyl)urea is sourced from PubChem (CID 4602048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).