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

C10H15N3O — CID 115583860

IUPAC1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
SMILESCCNC(=O)NCc1ccc(C)nc1
InChIInChI=1S/C10H15N3O/c1-3-11-10(14)13-7-9-5-4-8(2)12-6-9/h4-6H,3,7H2,1-2H3,(H2,11,13,14)
InChIKeyAYCFIGDGYVSVKZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.21
Rot. Bonds3

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

1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea (PubChem CID 115583860) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
PubChem CID115583860
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
SMILESCCNC(=O)NCc1ccc(C)nc1
InChIInChI=1S/C10H15N3O/c1-3-11-10(14)13-7-9-5-4-8(2)12-6-9/h4-6H,3,7H2,1-2H3,(H2,11,13,14)
InChIKeyAYCFIGDGYVSVKZ-UHFFFAOYSA-N
XLogP1.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 94913044
1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583859
N-ethyl-2-[(6-methyl-3-pyridinyl)methylamino]propanamide
CID 62997286
6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid
CID 62995104
3-methyl-2-[[(6-methyl-3-pyridinyl)methylcarbamoylamino]methyl]butanoic acid
CID 65226600
(2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 79023254
(2R)-3-methyl-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]butanoic acid
CID 79010063
3-methyl-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]butanoic acid
CID 55139744
(2S)-4-amino-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63719043
2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]acetamide
CID 47043979
1-[(6-methyl-3-pyridinyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 62996002
N-[(6-methyl-3-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63129561

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea (CID 115583860) is 1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea is CCNC(=O)NCc1ccc(C)nc1.
What is the InChIKey of 1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea?
The InChIKey is AYCFIGDGYVSVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-3-11-10(14)13-7-9-5-4-8(2)12-6-9/h4-6H,3,7H2,1-2H3,(H2,11,13,14).
What are the key properties of 1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea?
1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea has a molecular weight of 193.25 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 115583860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).