1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea

C19H26N4O3 — CID 55820188

IUPAC1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea
SMILESCOCCOCc1cccc(NC(=O)NCc2cccnc2N(C)C)c1
InChIInChI=1S/C19H26N4O3/c1-23(2)18-16(7-5-9-20-18)13-21-19(24)22-17-8-4-6-15(12-17)14-26-11-10-25-3/h4-9,12H,10-11,13-14H2,1-3H3,(H2,21,22,24)
InChIKeyPPJRLYSXKNJFQA-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.63
Rot. Bonds9

About 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea

1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea (PubChem CID 55820188) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea
PubChem CID55820188
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea
SMILESCOCCOCc1cccc(NC(=O)NCc2cccnc2N(C)C)c1
InChIInChI=1S/C19H26N4O3/c1-23(2)18-16(7-5-9-20-18)13-21-19(24)22-17-8-4-6-15(12-17)14-26-11-10-25-3/h4-9,12H,10-11,13-14H2,1-3H3,(H2,21,22,24)
InChIKeyPPJRLYSXKNJFQA-UHFFFAOYSA-N
XLogP2.63
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[2-(dimethylamino)-3-pyridinyl]methylcarbamoylamino]benzoate
CID 47040079
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(2-methoxyethyl)thiourea
CID 43076072
N-[3-[[2-(dimethylamino)-3-pyridinyl]methylcarbamoylamino]-4-methylphenyl]-2-methylpropanamide
CID 47041615
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea
CID 166206040
1-(4-bromo-2,6-dimethylphenyl)-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea
CID 55748072
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47050133
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[3-(2-methoxyethoxymethyl)phenyl]urea
CID 51118838
3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide
CID 106111842
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide
CID 42195214
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(pyridin-2-ylmethyl)urea
CID 51085457
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 94029130
1-[5-(dimethylamino)-2-pyridinyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 99840101

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea?
The IUPAC name of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea (CID 55820188) is 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea?
The canonical SMILES for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea is COCCOCc1cccc(NC(=O)NCc2cccnc2N(C)C)c1.
What is the InChIKey of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea?
The InChIKey is PPJRLYSXKNJFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-23(2)18-16(7-5-9-20-18)13-21-19(24)22-17-8-4-6-15(12-17)14-26-11-10-25-3/h4-9,12H,10-11,13-14H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea?
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea has a molecular weight of 358.44 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[3-(2-methoxyethoxymethyl)phenyl]urea is sourced from PubChem (CID 55820188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).