1-methyl-1-[(2-methylfuran-3-yl)methyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea

C14H17N3O3 — CID 75462305

IUPAC1-methyl-1-[(2-methylfuran-3-yl)methyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea
SMILESCc1occc1CN(C)C(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C14H17N3O3/c1-10-11(6-7-20-10)8-17(3)14(19)15-12-4-5-13(18)16(2)9-12/h4-7,9H,8H2,1-3H3,(H,15,19)
InChIKeyQPBGMGNRXJJHNE-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.95
Rot. Bonds3

About 1-methyl-1-[(2-methylfuran-3-yl)methyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea

1-methyl-1-[(2-methylfuran-3-yl)methyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea (PubChem CID 75462305) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-methyl-1-[(2-methylfuran-3-yl)methyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea.

Molecular Properties

Compound Name1-methyl-1-[(2-methylfuran-3-yl)methyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea
PubChem CID75462305
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name1-methyl-1-[(2-methylfuran-3-yl)methyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea
SMILESCc1occc1CN(C)C(=O)Nc1ccc(=O)n(C)c1
InChIInChI=1S/C14H17N3O3/c1-10-11(6-7-20-10)8-17(3)14(19)15-12-4-5-13(18)16(2)9-12/h4-7,9H,8H2,1-3H3,(H,15,19)
InChIKeyQPBGMGNRXJJHNE-UHFFFAOYSA-N
XLogP1.95
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(2-methylfuran-3-yl)methyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea?
The IUPAC name of 1-methyl-1-[(2-methylfuran-3-yl)methyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea (CID 75462305) is 1-methyl-1-[(2-methylfuran-3-yl)methyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea.
What is the SMILES notation for 1-methyl-1-[(2-methylfuran-3-yl)methyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea?
The canonical SMILES for 1-methyl-1-[(2-methylfuran-3-yl)methyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea is Cc1occc1CN(C)C(=O)Nc1ccc(=O)n(C)c1.
What is the InChIKey of 1-methyl-1-[(2-methylfuran-3-yl)methyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea?
The InChIKey is QPBGMGNRXJJHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10-11(6-7-20-10)8-17(3)14(19)15-12-4-5-13(18)16(2)9-12/h4-7,9H,8H2,1-3H3,(H,15,19).
What are the key properties of 1-methyl-1-[(2-methylfuran-3-yl)methyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea?
1-methyl-1-[(2-methylfuran-3-yl)methyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea has a molecular weight of 275.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(2-methylfuran-3-yl)methyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea is sourced from PubChem (CID 75462305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).