1-[(3-methoxyphenyl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea

C19H24N4O2 — CID 36505121

IUPAC1-[(3-methoxyphenyl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
SMILESCOc1cccc(CNC(=O)NCc2ccc(N3CCCC3)nc2)c1
InChIInChI=1S/C19H24N4O2/c1-25-17-6-4-5-15(11-17)12-21-19(24)22-14-16-7-8-18(20-13-16)23-9-2-3-10-23/h4-8,11,13H,2-3,9-10,12,14H2,1H3,(H2,21,22,24)
InChIKeyGKDWJLZLPBBYIE-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.69
Rot. Bonds6

About 1-[(3-methoxyphenyl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea

1-[(3-methoxyphenyl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea (PubChem CID 36505121) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
PubChem CID36505121
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[(3-methoxyphenyl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
SMILESCOc1cccc(CNC(=O)NCc2ccc(N3CCCC3)nc2)c1
InChIInChI=1S/C19H24N4O2/c1-25-17-6-4-5-15(11-17)12-21-19(24)22-14-16-7-8-18(20-13-16)23-9-2-3-10-23/h4-8,11,13H,2-3,9-10,12,14H2,1H3,(H2,21,22,24)
InChIKeyGKDWJLZLPBBYIE-UHFFFAOYSA-N
XLogP2.69
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3-methoxyphenyl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea with MolForge

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Related Compounds

2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 38528215
1-ethyl-3-[(3-methoxyphenyl)methyl]-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111250858
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-chloro-4-methoxyphenyl)urea
CID 86862774
2,5-dimethoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37482299
1-benzyl-3-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 38528549
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide
CID 11638950
N-[(3,5-dimethoxyphenyl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine;hydrochloride
CID 47030650
1-prop-2-enyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 36507156
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 55922865
N-[(3-methoxyphenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53098915
3-(difluoromethoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735183

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea (CID 36505121) is 1-[(3-methoxyphenyl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea is COc1cccc(CNC(=O)NCc2ccc(N3CCCC3)nc2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
The InChIKey is GKDWJLZLPBBYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-17-6-4-5-15(11-17)12-21-19(24)22-14-16-7-8-18(20-13-16)23-9-2-3-10-23/h4-8,11,13H,2-3,9-10,12,14H2,1H3,(H2,21,22,24).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea?
1-[(3-methoxyphenyl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 340.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 36505121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).