ethane;pyridin-4-ylmethylurea

C9H15N3O — CID 144877282

IUPACethane;pyridin-4-ylmethylurea
SMILESCC.NC(=O)NCc1ccncc1
InChIInChI=1S/C7H9N3O.C2H6/c8-7(11)10-5-6-1-3-9-4-2-6;1-2/h1-4H,5H2,(H3,8,10,11);1-2H3
InChIKeyWPOBSVYZICXBBL-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.28
Rot. Bonds2

About ethane;pyridin-4-ylmethylurea

ethane;pyridin-4-ylmethylurea (PubChem CID 144877282) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is ethane;pyridin-4-ylmethylurea.

Molecular Properties

Compound Nameethane;pyridin-4-ylmethylurea
PubChem CID144877282
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Nameethane;pyridin-4-ylmethylurea
SMILESCC.NC(=O)NCc1ccncc1
InChIInChI=1S/C7H9N3O.C2H6/c8-7(11)10-5-6-1-3-9-4-2-6;1-2/h1-4H,5H2,(H3,8,10,11);1-2H3
InChIKeyWPOBSVYZICXBBL-UHFFFAOYSA-N
XLogP1.28
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

pyridin-4-ylmethylcarbamothioylazanium;thiourea;chloride;hydrochloride
CID 160816845
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
benzene;benzylurea;hydrazine
CID 68793593
2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 88952293
3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 4634724
(2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61148496
(2S)-2,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide;ethane;molecular hydrogen
CID 143277001
2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 43107780
trans-(1S,3S)-2,2-dimethyl-3-(pyridin-4-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 52902154
[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744908
1-(2-methylprop-1-enyl)-3-(pyridin-4-ylmethyl)urea
CID 108909886
2-amino-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide
CID 60848280

Frequently Asked Questions

What is the IUPAC name of ethane;pyridin-4-ylmethylurea?
The IUPAC name of ethane;pyridin-4-ylmethylurea (CID 144877282) is ethane;pyridin-4-ylmethylurea.
What is the SMILES notation for ethane;pyridin-4-ylmethylurea?
The canonical SMILES for ethane;pyridin-4-ylmethylurea is CC.NC(=O)NCc1ccncc1.
What is the InChIKey of ethane;pyridin-4-ylmethylurea?
The InChIKey is WPOBSVYZICXBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O.C2H6/c8-7(11)10-5-6-1-3-9-4-2-6;1-2/h1-4H,5H2,(H3,8,10,11);1-2H3.
What are the key properties of ethane;pyridin-4-ylmethylurea?
ethane;pyridin-4-ylmethylurea has a molecular weight of 181.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pyridin-4-ylmethylurea is sourced from PubChem (CID 144877282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).