3-(4,6-dimethyl-2-pyridinyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea

C16H21N3O3 — CID 86793421

IUPAC3-(4,6-dimethyl-2-pyridinyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(Cc1ccco1)C(=O)Nc1cc(C)cc(C)n1
InChIInChI=1S/C16H21N3O3/c1-12-9-13(2)17-15(10-12)18-16(20)19(6-8-21-3)11-14-5-4-7-22-14/h4-5,7,9-10H,6,8,11H2,1-3H3,(H,17,18,20)
InChIKeyCXOYDKBFOSPBJW-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.97
Rot. Bonds6

About 3-(4,6-dimethyl-2-pyridinyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea

3-(4,6-dimethyl-2-pyridinyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea (PubChem CID 86793421) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-pyridinyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-pyridinyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
PubChem CID86793421
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-(4,6-dimethyl-2-pyridinyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(Cc1ccco1)C(=O)Nc1cc(C)cc(C)n1
InChIInChI=1S/C16H21N3O3/c1-12-9-13(2)17-15(10-12)18-16(20)19(6-8-21-3)11-14-5-4-7-22-14/h4-5,7,9-10H,6,8,11H2,1-3H3,(H,17,18,20)
InChIKeyCXOYDKBFOSPBJW-UHFFFAOYSA-N
XLogP2.97
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea
CID 86999017
3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 86999398
1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[1-(2-methylphenyl)ethyl]urea
CID 86998774
N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(3-methylphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3981967
N-benzyl-2-[(3,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3379104
4-(carbamoylamino)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)benzamide
CID 32993957
1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methyl-3-pyridinyl)urea
CID 71856055
3-[(5-chloro-2-methoxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 87008094
2-[[furan-2-ylmethyl(methyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79270355
5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685085
3-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 87000370
(E)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(2,4,5-trimethylphenyl)prop-2-enamide
CID 60553181

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-pyridinyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea?
The IUPAC name of 3-(4,6-dimethyl-2-pyridinyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea (CID 86793421) is 3-(4,6-dimethyl-2-pyridinyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea.
What is the SMILES notation for 3-(4,6-dimethyl-2-pyridinyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea?
The canonical SMILES for 3-(4,6-dimethyl-2-pyridinyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea is COCCN(Cc1ccco1)C(=O)Nc1cc(C)cc(C)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-pyridinyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea?
The InChIKey is CXOYDKBFOSPBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-12-9-13(2)17-15(10-12)18-16(20)19(6-8-21-3)11-14-5-4-7-22-14/h4-5,7,9-10H,6,8,11H2,1-3H3,(H,17,18,20).
What are the key properties of 3-(4,6-dimethyl-2-pyridinyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea?
3-(4,6-dimethyl-2-pyridinyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea has a molecular weight of 303.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-pyridinyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea is sourced from PubChem (CID 86793421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).