ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea

C11H19N3O — CID 170575881

IUPACethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea
SMILESCC.CCNC(=O)Nc1cc(C)ccn1
InChIInChI=1S/C9H13N3O.C2H6/c1-3-10-9(13)12-8-6-7(2)4-5-11-8;1-2/h4-6H,3H2,1-2H3,(H2,10,11,12,13);1-2H3
InChIKeyLGTATVZTQNXRGW-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.56
Rot. Bonds2

About ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea

ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea (PubChem CID 170575881) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Nameethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea
PubChem CID170575881
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Nameethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea
SMILESCC.CCNC(=O)Nc1cc(C)ccn1
InChIInChI=1S/C9H13N3O.C2H6/c1-3-10-9(13)12-8-6-7(2)4-5-11-8;1-2/h4-6H,3H2,1-2H3,(H2,10,11,12,13);1-2H3
InChIKeyLGTATVZTQNXRGW-UHFFFAOYSA-N
XLogP2.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 108898245
2-ethyl-N-(4-methyl-2-pyridinyl)butanamide
CID 849589
1-[(1-methoxycyclobutyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 75520786
1-cyclopropyl-3-(4-methyl-2-pyridinyl)urea
CID 108887621
1-[(2-amino-2-adamantyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 128755511
2-methoxy-N-(4-methyl-2-pyridinyl)acetamide
CID 23657944
N-(4-methyl-2-pyridinyl)undecanamide
CID 3659858
1-(1-methoxybutan-2-yl)-3-(4-methyl-2-pyridinyl)urea
CID 75484664
2-isocyano-N-(4-methyl-2-pyridinyl)acetamide
CID 108814872
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
1-(4-tert-butylphenyl)-3-(4-methyl-2-pyridinyl)urea
CID 108884892
3,4,5-triethoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 649583

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea?
The IUPAC name of ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea (CID 170575881) is ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea.
What is the SMILES notation for ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea?
The canonical SMILES for ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea is CC.CCNC(=O)Nc1cc(C)ccn1.
What is the InChIKey of ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea?
The InChIKey is LGTATVZTQNXRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.C2H6/c1-3-10-9(13)12-8-6-7(2)4-5-11-8;1-2/h4-6H,3H2,1-2H3,(H2,10,11,12,13);1-2H3.
What are the key properties of ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea?
ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea has a molecular weight of 209.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea is sourced from PubChem (CID 170575881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).