1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea

C21H30N4O3 — CID 55769818

IUPAC1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
SMILESCCN(CC)c1ccc(CNC(=O)NCCc2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C21H30N4O3/c1-5-25(6-2)20-10-8-17(14-23-20)15-24-21(26)22-12-11-16-7-9-18(27-3)19(13-16)28-4/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H2,22,24,26)
InChIKeyBSICTHBBZAORFL-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.99
Rot. Bonds10

About 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea

1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea (PubChem CID 55769818) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
PubChem CID55769818
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
SMILESCCN(CC)c1ccc(CNC(=O)NCCc2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C21H30N4O3/c1-5-25(6-2)20-10-8-17(14-23-20)15-24-21(26)22-12-11-16-7-9-18(27-3)19(13-16)28-4/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H2,22,24,26)
InChIKeyBSICTHBBZAORFL-UHFFFAOYSA-N
XLogP2.99
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157430
5-(diethylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109285735
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 55743125
methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoate
CID 55473296
4-[[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]methyl]benzoic acid
CID 108891353
2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-[(3,4-dimethoxyphenyl)methyl]-3-ethylguanidine
CID 111202776
N-[6-(diethylamino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113014574
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108891449
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38210357
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 3705348
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea (CID 55769818) is 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea is CCN(CC)c1ccc(CNC(=O)NCCc2ccc(OC)c(OC)c2)cn1.
What is the InChIKey of 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The InChIKey is BSICTHBBZAORFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-5-25(6-2)20-10-8-17(14-23-20)15-24-21(26)22-12-11-16-7-9-18(27-3)19(13-16)28-4/h7-10,13-14H,5-6,11-12,15H2,1-4H3,(H2,22,24,26).
What are the key properties of 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea has a molecular weight of 386.50 g/mol, XLogP of 2.99, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 55769818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).