1-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,3-trimethylurea

C14H23N3O2 — CID 19012446

IUPAC1-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,3-trimethylurea
SMILESCCCCc1ccc(CN(C)C(=O)N(C)C)c(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-5-6-7-12-9-8-11(13(18)15-12)10-17(4)14(19)16(2)3/h8-9H,5-7,10H2,1-4H3,(H,15,18)
InChIKeyNXSIXZBONIEXTN-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.83
Rot. Bonds5

About 1-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,3-trimethylurea

1-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,3-trimethylurea (PubChem CID 19012446) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,3-trimethylurea
PubChem CID19012446
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,3-trimethylurea
SMILESCCCCc1ccc(CN(C)C(=O)N(C)C)c(=O)[nH]1
InChIInChI=1S/C14H23N3O2/c1-5-6-7-12-9-8-11(13(18)15-12)10-17(4)14(19)16(2)3/h8-9H,5-7,10H2,1-4H3,(H,15,18)
InChIKeyNXSIXZBONIEXTN-UHFFFAOYSA-N
XLogP1.83
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,3-trimethylurea?
The IUPAC name of 1-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,3-trimethylurea (CID 19012446) is 1-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,3-trimethylurea.
What is the SMILES notation for 1-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,3-trimethylurea?
The canonical SMILES for 1-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,3-trimethylurea is CCCCc1ccc(CN(C)C(=O)N(C)C)c(=O)[nH]1.
What is the InChIKey of 1-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,3-trimethylurea?
The InChIKey is NXSIXZBONIEXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-6-7-12-9-8-11(13(18)15-12)10-17(4)14(19)16(2)3/h8-9H,5-7,10H2,1-4H3,(H,15,18).
What are the key properties of 1-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,3-trimethylurea?
1-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,3-trimethylurea has a molecular weight of 265.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,3-trimethylurea is sourced from PubChem (CID 19012446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).