3-(4,6-dimethyl-2-pyridinyl)-1-ethyl-1-(2-methylprop-2-enyl)urea

C14H21N3O — CID 75485051

IUPAC3-(4,6-dimethyl-2-pyridinyl)-1-ethyl-1-(2-methylprop-2-enyl)urea
SMILESC=C(C)CN(CC)C(=O)Nc1cc(C)cc(C)n1
InChIInChI=1S/C14H21N3O/c1-6-17(9-10(2)3)14(18)16-13-8-11(4)7-12(5)15-13/h7-8H,2,6,9H2,1,3-5H3,(H,15,16,18)
InChIKeyCHKYMEFXUZASQJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.13
Rot. Bonds4

About 3-(4,6-dimethyl-2-pyridinyl)-1-ethyl-1-(2-methylprop-2-enyl)urea

3-(4,6-dimethyl-2-pyridinyl)-1-ethyl-1-(2-methylprop-2-enyl)urea (PubChem CID 75485051) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-pyridinyl)-1-ethyl-1-(2-methylprop-2-enyl)urea.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-pyridinyl)-1-ethyl-1-(2-methylprop-2-enyl)urea
PubChem CID75485051
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-(4,6-dimethyl-2-pyridinyl)-1-ethyl-1-(2-methylprop-2-enyl)urea
SMILESC=C(C)CN(CC)C(=O)Nc1cc(C)cc(C)n1
InChIInChI=1S/C14H21N3O/c1-6-17(9-10(2)3)14(18)16-13-8-11(4)7-12(5)15-13/h7-8H,2,6,9H2,1,3-5H3,(H,15,16,18)
InChIKeyCHKYMEFXUZASQJ-UHFFFAOYSA-N
XLogP3.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4,6-dimethyl-2-pyridinyl)acetamide
CID 4199160
1-ethyl-1-(2-methylprop-2-enyl)-3-[4-(4-methylpyrimidin-2-yl)phenyl]urea
CID 56791436
2-(butan-2-ylamino)-N-(4,6-dimethyl-2-pyridinyl)acetamide
CID 114932408
N-(4,6-dimethyl-2-pyridinyl)hexanamide
CID 5075598
1-ethyl-1-(2-methylprop-2-enyl)-3-(3-methylpyridazin-4-yl)urea
CID 146127944
N-(4,6-dimethyl-2-pyridinyl)nonanamide
CID 4047413
4-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61184350
3-(4,6-dimethyl-2-pyridinyl)-1-[(1-hydroxycyclopentyl)methyl]-1-methylurea
CID 86793408
CID 10084917
CID 10084917
2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
CID 61183574
N-(4,6-dimethyl-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 17148768
N-(3,5-dimethylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 86976719

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-pyridinyl)-1-ethyl-1-(2-methylprop-2-enyl)urea?
The IUPAC name of 3-(4,6-dimethyl-2-pyridinyl)-1-ethyl-1-(2-methylprop-2-enyl)urea (CID 75485051) is 3-(4,6-dimethyl-2-pyridinyl)-1-ethyl-1-(2-methylprop-2-enyl)urea.
What is the SMILES notation for 3-(4,6-dimethyl-2-pyridinyl)-1-ethyl-1-(2-methylprop-2-enyl)urea?
The canonical SMILES for 3-(4,6-dimethyl-2-pyridinyl)-1-ethyl-1-(2-methylprop-2-enyl)urea is C=C(C)CN(CC)C(=O)Nc1cc(C)cc(C)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-pyridinyl)-1-ethyl-1-(2-methylprop-2-enyl)urea?
The InChIKey is CHKYMEFXUZASQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-6-17(9-10(2)3)14(18)16-13-8-11(4)7-12(5)15-13/h7-8H,2,6,9H2,1,3-5H3,(H,15,16,18).
What are the key properties of 3-(4,6-dimethyl-2-pyridinyl)-1-ethyl-1-(2-methylprop-2-enyl)urea?
3-(4,6-dimethyl-2-pyridinyl)-1-ethyl-1-(2-methylprop-2-enyl)urea has a molecular weight of 247.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-pyridinyl)-1-ethyl-1-(2-methylprop-2-enyl)urea is sourced from PubChem (CID 75485051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).