1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea

C11H17N3O — CID 78786415

IUPAC1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea
SMILESCCCNC(=O)N(C)Cc1cccnc1
InChIInChI=1S/C11H17N3O/c1-3-6-13-11(15)14(2)9-10-5-4-7-12-8-10/h4-5,7-8H,3,6,9H2,1-2H3,(H,13,15)
InChIKeyUUNVPYOMHOXEGI-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.63
Rot. Bonds4

About 1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea

1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea (PubChem CID 78786415) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea
PubChem CID78786415
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea
SMILESCCCNC(=O)N(C)Cc1cccnc1
InChIInChI=1S/C11H17N3O/c1-3-6-13-11(15)14(2)9-10-5-4-7-12-8-10/h4-5,7-8H,3,6,9H2,1-2H3,(H,13,15)
InChIKeyUUNVPYOMHOXEGI-UHFFFAOYSA-N
XLogP1.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butyl-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 78786414
2-chloro-N-[methyl(pyridin-3-ylmethyl)carbamoyl]acetamide
CID 43563856
1-(3,4-dimethylphenyl)-3-propyl-1-(pyridin-3-ylmethyl)urea
CID 110360931
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
2-methoxy-3-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 114144603
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-pyridin-3-ylethyl)urea
CID 86855084
4-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 43563711
1-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-3-propylurea
CID 53185034
N-methyl-2-(methylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 43563676
methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate
CID 115174424

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea (CID 78786415) is 1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea is CCCNC(=O)N(C)Cc1cccnc1.
What is the InChIKey of 1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea?
The InChIKey is UUNVPYOMHOXEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-6-13-11(15)14(2)9-10-5-4-7-12-8-10/h4-5,7-8H,3,6,9H2,1-2H3,(H,13,15).
What are the key properties of 1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea?
1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea has a molecular weight of 207.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 78786415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).