1-benzyl-1-methyl-3-pyridin-4-ylurea

C14H15N3O — CID 47385426

IUPAC1-benzyl-1-methyl-3-pyridin-4-ylurea
SMILESCN(Cc1ccccc1)C(=O)Nc1ccncc1
InChIInChI=1S/C14H15N3O/c1-17(11-12-5-3-2-4-6-12)14(18)16-13-7-9-15-10-8-13/h2-10H,11H2,1H3,(H,15,16,18)
InChIKeyOIPOXNDQHMVERO-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.75
Rot. Bonds3

About 1-benzyl-1-methyl-3-pyridin-4-ylurea

1-benzyl-1-methyl-3-pyridin-4-ylurea (PubChem CID 47385426) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-benzyl-1-methyl-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-benzyl-1-methyl-3-pyridin-4-ylurea
PubChem CID47385426
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-benzyl-1-methyl-3-pyridin-4-ylurea
SMILESCN(Cc1ccccc1)C(=O)Nc1ccncc1
InChIInChI=1S/C14H15N3O/c1-17(11-12-5-3-2-4-6-12)14(18)16-13-7-9-15-10-8-13/h2-10H,11H2,1H3,(H,15,16,18)
InChIKeyOIPOXNDQHMVERO-UHFFFAOYSA-N
XLogP2.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-phenyl-1-[(4-phenylphenyl)methyl]urea
CID 134799082
3-[4-(1-aminoethyl)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 61342243
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 127514333
2-[4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61201915
3-amino-1-benzyl-1-methylurea
CID 43163959
3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 87010136
1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 86988170
1-[benzyl(methyl)amino]-1-methyl-3-phenylurea
CID 70294389
N-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide
CID 87010607
5-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157620

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-methyl-3-pyridin-4-ylurea?
The IUPAC name of 1-benzyl-1-methyl-3-pyridin-4-ylurea (CID 47385426) is 1-benzyl-1-methyl-3-pyridin-4-ylurea.
What is the SMILES notation for 1-benzyl-1-methyl-3-pyridin-4-ylurea?
The canonical SMILES for 1-benzyl-1-methyl-3-pyridin-4-ylurea is CN(Cc1ccccc1)C(=O)Nc1ccncc1.
What is the InChIKey of 1-benzyl-1-methyl-3-pyridin-4-ylurea?
The InChIKey is OIPOXNDQHMVERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-17(11-12-5-3-2-4-6-12)14(18)16-13-7-9-15-10-8-13/h2-10H,11H2,1H3,(H,15,16,18).
What are the key properties of 1-benzyl-1-methyl-3-pyridin-4-ylurea?
1-benzyl-1-methyl-3-pyridin-4-ylurea has a molecular weight of 241.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-methyl-3-pyridin-4-ylurea is sourced from PubChem (CID 47385426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).