1-(2-ethoxy-3-pyridinyl)-3-(1-methylsulfonylpiperidin-3-yl)urea

C14H22N4O4S — CID 47747456

IUPAC1-(2-ethoxy-3-pyridinyl)-3-(1-methylsulfonylpiperidin-3-yl)urea
SMILESCCOc1ncccc1NC(=O)NC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H22N4O4S/c1-3-22-13-12(7-4-8-15-13)17-14(19)16-11-6-5-9-18(10-11)23(2,20)21/h4,7-8,11H,3,5-6,9-10H2,1-2H3,(H2,16,17,19)
InChIKeyONVKEZDKRBBVHF-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.03
Rot. Bonds5

About 1-(2-ethoxy-3-pyridinyl)-3-(1-methylsulfonylpiperidin-3-yl)urea

1-(2-ethoxy-3-pyridinyl)-3-(1-methylsulfonylpiperidin-3-yl)urea (PubChem CID 47747456) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-(2-ethoxy-3-pyridinyl)-3-(1-methylsulfonylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-(2-ethoxy-3-pyridinyl)-3-(1-methylsulfonylpiperidin-3-yl)urea
PubChem CID47747456
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC Name1-(2-ethoxy-3-pyridinyl)-3-(1-methylsulfonylpiperidin-3-yl)urea
SMILESCCOc1ncccc1NC(=O)NC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H22N4O4S/c1-3-22-13-12(7-4-8-15-13)17-14(19)16-11-6-5-9-18(10-11)23(2,20)21/h4,7-8,11H,3,5-6,9-10H2,1-2H3,(H2,16,17,19)
InChIKeyONVKEZDKRBBVHF-UHFFFAOYSA-N
XLogP1.03
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxy-N-methylsulfonylanilino)-N-pyridin-3-ylacetamide
CID 816069
1-(2-Ethoxyphenyl)-3-(6-methoxypyridin-3-yl)urea
CID 2815596
Urea, 3-(6-butoxy-3-pyridyl)-1,1-dimethyl-
CID 99419
N-(6-{2-[4-(4-Fluorophenyl)piperazino]-2-oxoethoxy}-3-pyridyl)methanesulfonamide
CID 53175045
N-(2-ethoxy-3-pyridinyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 45827299
1-(2-Ethoxy-3-pyridinyl)-3-(2-hydroxypropyl)urea
CID 45827313
1-Cyclopropyl-3-(2-methoxy-3-pyridinyl)-1-(pyridin-2-ylmethyl)urea
CID 45827743
N-(2-methoxy-3-pyridinyl)-3-methylmorpholine-4-carboxamide
CID 45827745
N-(2-methoxy-3-pyridinyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 45828108
4-[(dimethylamino)methyl]-N-(2-ethoxy-3-pyridinyl)piperidine-1-carboxamide
CID 45832882
N-(2-ethoxy-3-pyridinyl)-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 45832883
3-[(carbamoylamino)methyl]-N-(2-ethoxy-3-pyridinyl)piperidine-1-carboxamide
CID 45832886

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-3-pyridinyl)-3-(1-methylsulfonylpiperidin-3-yl)urea?
The IUPAC name of 1-(2-ethoxy-3-pyridinyl)-3-(1-methylsulfonylpiperidin-3-yl)urea (CID 47747456) is 1-(2-ethoxy-3-pyridinyl)-3-(1-methylsulfonylpiperidin-3-yl)urea.
What is the SMILES notation for 1-(2-ethoxy-3-pyridinyl)-3-(1-methylsulfonylpiperidin-3-yl)urea?
The canonical SMILES for 1-(2-ethoxy-3-pyridinyl)-3-(1-methylsulfonylpiperidin-3-yl)urea is CCOc1ncccc1NC(=O)NC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 1-(2-ethoxy-3-pyridinyl)-3-(1-methylsulfonylpiperidin-3-yl)urea?
The InChIKey is ONVKEZDKRBBVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-3-22-13-12(7-4-8-15-13)17-14(19)16-11-6-5-9-18(10-11)23(2,20)21/h4,7-8,11H,3,5-6,9-10H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(2-ethoxy-3-pyridinyl)-3-(1-methylsulfonylpiperidin-3-yl)urea?
1-(2-ethoxy-3-pyridinyl)-3-(1-methylsulfonylpiperidin-3-yl)urea has a molecular weight of 342.42 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-3-pyridinyl)-3-(1-methylsulfonylpiperidin-3-yl)urea is sourced from PubChem (CID 47747456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).