3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea

C19H26N4O3 — CID 87009010

IUPAC3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
SMILESCOc1cc(NC(=O)N(CCN(C)C)Cc2cccnc2)cc(OC)c1
InChIInChI=1S/C19H26N4O3/c1-22(2)8-9-23(14-15-6-5-7-20-13-15)19(24)21-16-10-17(25-3)12-18(11-16)26-4/h5-7,10-13H,8-9,14H2,1-4H3,(H,21,24)
InChIKeyBRTDNDBIELDGPQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.69
Rot. Bonds8

About 3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea

3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea (PubChem CID 87009010) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
PubChem CID87009010
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
SMILESCOc1cc(NC(=O)N(CCN(C)C)Cc2cccnc2)cc(OC)c1
InChIInChI=1S/C19H26N4O3/c1-22(2)8-9-23(14-15-6-5-7-20-13-15)19(24)21-16-10-17(25-3)12-18(11-16)26-4/h5-7,10-13H,8-9,14H2,1-4H3,(H,21,24)
InChIKeyBRTDNDBIELDGPQ-UHFFFAOYSA-N
XLogP2.69
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-(3-propoxyphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87009632
3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 52662096
1-[2-(dimethylamino)ethyl]-3-(2-methoxy-5-methylphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87009032
1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
CID 87008900
1-[2-(dimethylamino)ethyl]-3-(9H-fluoren-2-yl)-1-(pyridin-3-ylmethyl)urea
CID 87009139
3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
CID 111102179
1-[2-(dimethylamino)ethyl]-3-(2-methyl-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87035630
1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68563058
N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113120467
1-[3-(dimethylamino)propyl]-1-ethyl-3-[3-(pyridin-3-ylmethoxy)phenyl]urea
CID 119044870
N-[2-methoxy-5-[[propyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]acetamide
CID 72846941

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea (CID 87009010) is 3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea is COc1cc(NC(=O)N(CCN(C)C)Cc2cccnc2)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea?
The InChIKey is BRTDNDBIELDGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-22(2)8-9-23(14-15-6-5-7-20-13-15)19(24)21-16-10-17(25-3)12-18(11-16)26-4/h5-7,10-13H,8-9,14H2,1-4H3,(H,21,24).
What are the key properties of 3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea?
3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea has a molecular weight of 358.44 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 87009010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).