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

C15H25N3O2 — CID 19012370

IUPAC3-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-diethylurea
SMILESCCCCc1ccc(CNC(=O)N(CC)CC)c(=O)[nH]1
InChIInChI=1S/C15H25N3O2/c1-4-7-8-13-10-9-12(14(19)17-13)11-16-15(20)18(5-2)6-3/h9-10H,4-8,11H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyNMWYCTPDZFBTAV-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.27
Rot. Bonds7

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

3-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-diethylurea (PubChem CID 19012370) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-diethylurea
PubChem CID19012370
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-diethylurea
SMILESCCCCc1ccc(CNC(=O)N(CC)CC)c(=O)[nH]1
InChIInChI=1S/C15H25N3O2/c1-4-7-8-13-10-9-12(14(19)17-13)11-16-15(20)18(5-2)6-3/h9-10H,4-8,11H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyNMWYCTPDZFBTAV-UHFFFAOYSA-N
XLogP2.27
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-diethylurea?
The IUPAC name of 3-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-diethylurea (CID 19012370) is 3-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-diethylurea.
What is the SMILES notation for 3-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-diethylurea?
The canonical SMILES for 3-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-diethylurea is CCCCc1ccc(CNC(=O)N(CC)CC)c(=O)[nH]1.
What is the InChIKey of 3-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-diethylurea?
The InChIKey is NMWYCTPDZFBTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-7-8-13-10-9-12(14(19)17-13)11-16-15(20)18(5-2)6-3/h9-10H,4-8,11H2,1-3H3,(H,16,20)(H,17,19).
What are the key properties of 3-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-diethylurea?
3-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-diethylurea has a molecular weight of 279.38 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-diethylurea is sourced from PubChem (CID 19012370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).