1-ethyl-3-[[6-[(ethylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea

C13H21N5O2 — CID 125499687

IUPAC1-ethyl-3-[[6-[(ethylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea
SMILESCCNC(=O)NCc1cccc(CNC(=O)NCC)n1
InChIInChI=1S/C13H21N5O2/c1-3-14-12(19)16-8-10-6-5-7-11(18-10)9-17-13(20)15-4-2/h5-7H,3-4,8-9H2,1-2H3,(H2,14,16,19)(H2,15,17,20)
InChIKeyIYUBKZKKXJOWTO-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.72
Rot. Bonds6

About 1-ethyl-3-[[6-[(ethylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea

1-ethyl-3-[[6-[(ethylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea (PubChem CID 125499687) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-ethyl-3-[[6-[(ethylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[[6-[(ethylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea
PubChem CID125499687
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name1-ethyl-3-[[6-[(ethylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea
SMILESCCNC(=O)NCc1cccc(CNC(=O)NCC)n1
InChIInChI=1S/C13H21N5O2/c1-3-14-12(19)16-8-10-6-5-7-11(18-10)9-17-13(20)15-4-2/h5-7H,3-4,8-9H2,1-2H3,(H2,14,16,19)(H2,15,17,20)
InChIKeyIYUBKZKKXJOWTO-UHFFFAOYSA-N
XLogP0.72
TPSA95.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[6-[(ethylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea?
The IUPAC name of 1-ethyl-3-[[6-[(ethylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea (CID 125499687) is 1-ethyl-3-[[6-[(ethylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-[[6-[(ethylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea?
The canonical SMILES for 1-ethyl-3-[[6-[(ethylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea is CCNC(=O)NCc1cccc(CNC(=O)NCC)n1.
What is the InChIKey of 1-ethyl-3-[[6-[(ethylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea?
The InChIKey is IYUBKZKKXJOWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-3-14-12(19)16-8-10-6-5-7-11(18-10)9-17-13(20)15-4-2/h5-7H,3-4,8-9H2,1-2H3,(H2,14,16,19)(H2,15,17,20).
What are the key properties of 1-ethyl-3-[[6-[(ethylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea?
1-ethyl-3-[[6-[(ethylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea has a molecular weight of 279.34 g/mol, XLogP of 0.72, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[6-[(ethylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea is sourced from PubChem (CID 125499687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).