1-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-3-propylurea

C12H19N3O2 — CID 53185034

IUPAC1-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-3-propylurea
SMILESCCCNC(=O)N(C)Cc1cccnc1OC
InChIInChI=1S/C12H19N3O2/c1-4-7-14-12(16)15(2)9-10-6-5-8-13-11(10)17-3/h5-6,8H,4,7,9H2,1-3H3,(H,14,16)
InChIKeyHYQUQBLJGPGIIT-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.64
Rot. Bonds5

About 1-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-3-propylurea

1-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-3-propylurea (PubChem CID 53185034) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-3-propylurea.

Molecular Properties

Compound Name1-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-3-propylurea
PubChem CID53185034
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-3-propylurea
SMILESCCCNC(=O)N(C)Cc1cccnc1OC
InChIInChI=1S/C12H19N3O2/c1-4-7-14-12(16)15(2)9-10-6-5-8-13-11(10)17-3/h5-6,8H,4,7,9H2,1-3H3,(H,14,16)
InChIKeyHYQUQBLJGPGIIT-UHFFFAOYSA-N
XLogP1.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]-3-propylurea
CID 53185078
3-[(3-fluorophenyl)methyl]-1-[(2-methoxy-3-pyridinyl)methyl]-1-methylurea
CID 53185039
2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylacetamide
CID 53185000
3-(3-methoxypropyl)-1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]urea
CID 53185077
N-[(2-methoxy-3-pyridinyl)methyl]-N,2,2-trimethylbutanamide
CID 121446669
1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea
CID 78786415
N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpyrazine-2-carboxamide
CID 53184992
2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 47035760
3-tert-butyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea
CID 53184952
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea
CID 53184961
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-ylmethyl)-1-methylurea
CID 53184960
(2R)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 94795522

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-3-propylurea?
The IUPAC name of 1-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-3-propylurea (CID 53185034) is 1-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-3-propylurea.
What is the SMILES notation for 1-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-3-propylurea?
The canonical SMILES for 1-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-3-propylurea is CCCNC(=O)N(C)Cc1cccnc1OC.
What is the InChIKey of 1-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-3-propylurea?
The InChIKey is HYQUQBLJGPGIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-7-14-12(16)15(2)9-10-6-5-8-13-11(10)17-3/h5-6,8H,4,7,9H2,1-3H3,(H,14,16).
What are the key properties of 1-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-3-propylurea?
1-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-3-propylurea has a molecular weight of 237.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-3-propylurea is sourced from PubChem (CID 53185034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).