1-[(4-methoxy-2-pyridinyl)methyl]-1-methyl-3-[[(2S)-oxan-2-yl]methyl]urea

C15H23N3O3 — CID 126430739

IUPAC1-[(4-methoxy-2-pyridinyl)methyl]-1-methyl-3-[[(2S)-oxan-2-yl]methyl]urea
SMILESCOc1ccnc(CN(C)C(=O)NC[C@@H]2CCCCO2)c1
InChIInChI=1S/C15H23N3O3/c1-18(11-12-9-13(20-2)6-7-16-12)15(19)17-10-14-5-3-4-8-21-14/h6-7,9,14H,3-5,8,10-11H2,1-2H3,(H,17,19)/t14-/m0/s1
InChIKeyYHEYPIDVIUYXLB-AWEZNQCLSA-N
MW293.37 g/mol
LogP1.80
Rot. Bonds5

About 1-[(4-methoxy-2-pyridinyl)methyl]-1-methyl-3-[[(2S)-oxan-2-yl]methyl]urea

1-[(4-methoxy-2-pyridinyl)methyl]-1-methyl-3-[[(2S)-oxan-2-yl]methyl]urea (PubChem CID 126430739) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[(4-methoxy-2-pyridinyl)methyl]-1-methyl-3-[[(2S)-oxan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(4-methoxy-2-pyridinyl)methyl]-1-methyl-3-[[(2S)-oxan-2-yl]methyl]urea
PubChem CID126430739
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[(4-methoxy-2-pyridinyl)methyl]-1-methyl-3-[[(2S)-oxan-2-yl]methyl]urea
SMILESCOc1ccnc(CN(C)C(=O)NC[C@@H]2CCCCO2)c1
InChIInChI=1S/C15H23N3O3/c1-18(11-12-9-13(20-2)6-7-16-12)15(19)17-10-14-5-3-4-8-21-14/h6-7,9,14H,3-5,8,10-11H2,1-2H3,(H,17,19)/t14-/m0/s1
InChIKeyYHEYPIDVIUYXLB-AWEZNQCLSA-N
XLogP1.80
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methoxy-2-pyridinyl)methyl]-1-methyl-3-[[(2S)-oxan-2-yl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(2,4-dimethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083355
3-(2,4-dimethoxyphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 124523163
1-methyl-1-[(3-methylsulfanylphenyl)methyl]-3-(oxan-2-ylmethyl)urea
CID 119064472
1-methyl-3-(oxolan-2-ylmethyl)-1-(2-pyrazin-2-ylethyl)urea
CID 75398743
N-(2,4-dimethoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825214
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 19203851
2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 46418634
methyl N-[[4-(oxolan-2-ylmethylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112520355
4-N-[2-(4-methoxyphenoxy)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083297
3-(4-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17034638
4-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62173174

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-2-pyridinyl)methyl]-1-methyl-3-[[(2S)-oxan-2-yl]methyl]urea?
The IUPAC name of 1-[(4-methoxy-2-pyridinyl)methyl]-1-methyl-3-[[(2S)-oxan-2-yl]methyl]urea (CID 126430739) is 1-[(4-methoxy-2-pyridinyl)methyl]-1-methyl-3-[[(2S)-oxan-2-yl]methyl]urea.
What is the SMILES notation for 1-[(4-methoxy-2-pyridinyl)methyl]-1-methyl-3-[[(2S)-oxan-2-yl]methyl]urea?
The canonical SMILES for 1-[(4-methoxy-2-pyridinyl)methyl]-1-methyl-3-[[(2S)-oxan-2-yl]methyl]urea is COc1ccnc(CN(C)C(=O)NC[C@@H]2CCCCO2)c1.
What is the InChIKey of 1-[(4-methoxy-2-pyridinyl)methyl]-1-methyl-3-[[(2S)-oxan-2-yl]methyl]urea?
The InChIKey is YHEYPIDVIUYXLB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-18(11-12-9-13(20-2)6-7-16-12)15(19)17-10-14-5-3-4-8-21-14/h6-7,9,14H,3-5,8,10-11H2,1-2H3,(H,17,19)/t14-/m0/s1.
What are the key properties of 1-[(4-methoxy-2-pyridinyl)methyl]-1-methyl-3-[[(2S)-oxan-2-yl]methyl]urea?
1-[(4-methoxy-2-pyridinyl)methyl]-1-methyl-3-[[(2S)-oxan-2-yl]methyl]urea has a molecular weight of 293.37 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-2-pyridinyl)methyl]-1-methyl-3-[[(2S)-oxan-2-yl]methyl]urea is sourced from PubChem (CID 126430739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).