1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-[4-[(4-methoxyphenyl)sulfonyl-propylamino]piperidin-1-yl]ethyl]urea

C26H39N5O4S — CID 11272334

IUPAC1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-[4-[(4-methoxyphenyl)sulfonyl-propylamino]piperidin-1-yl]ethyl]urea
SMILESCCCN(C1CCN(CCNC(=O)Nc2cc(C)nc(CC)c2)CC1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C26H39N5O4S/c1-5-14-31(36(33,34)25-9-7-24(35-4)8-10-25)23-11-15-30(16-12-23)17-13-27-26(32)29-22-18-20(3)28-21(6-2)19-22/h7-10,18-19,23H,5-6,11-17H2,1-4H3,(H2,27,28,29,32)
InChIKeyYREDJZYMBRAYEA-UHFFFAOYSA-N
MW517.70 g/mol
LogP3.65
Rot. Bonds11

About 1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-[4-[(4-methoxyphenyl)sulfonyl-propylamino]piperidin-1-yl]ethyl]urea

1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-[4-[(4-methoxyphenyl)sulfonyl-propylamino]piperidin-1-yl]ethyl]urea (PubChem CID 11272334) has the molecular formula C26H39N5O4S and a molecular weight of 517.70 g/mol. Its IUPAC name is 1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-[4-[(4-methoxyphenyl)sulfonyl-propylamino]piperidin-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-[4-[(4-methoxyphenyl)sulfonyl-propylamino]piperidin-1-yl]ethyl]urea
PubChem CID11272334
Molecular FormulaC26H39N5O4S
Molecular Weight517.70 g/mol
Exact Mass517.27
IUPAC Name1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-[4-[(4-methoxyphenyl)sulfonyl-propylamino]piperidin-1-yl]ethyl]urea
SMILESCCCN(C1CCN(CCNC(=O)Nc2cc(C)nc(CC)c2)CC1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C26H39N5O4S/c1-5-14-31(36(33,34)25-9-7-24(35-4)8-10-25)23-11-15-30(16-12-23)17-13-27-26(32)29-22-18-20(3)28-21(6-2)19-22/h7-10,18-19,23H,5-6,11-17H2,1-4H3,(H2,27,28,29,32)
InChIKeyYREDJZYMBRAYEA-UHFFFAOYSA-N
XLogP3.65
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.70
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-[4-[(4-methoxyphenyl)sulfonyl-propylamino]piperidin-1-yl]ethyl]urea with MolForge

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Related Compounds

1-(2,6-diethyl-4-pyridinyl)-3-[2-[4-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]piperidin-1-yl]ethyl]urea
CID 91563773
1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 68689261
N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-ethyl-2-(4-methoxyphenyl)acetamide
CID 68689296
1-[2-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11397292
1-(2,6-dimethyl-4-pyridinyl)-3-[2-[4-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]urea
CID 11785825
N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)butanamide
CID 91272245
1-[2-[4-[cyclopropyl-(2-methoxy-4-methylphenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11295284
2-(3,4-dimethoxyphenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-methylacetamide
CID 141224300
1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11268609
1-[2-[4-[[(3-chlorophenyl)sulfonylamino]methyl]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 90921061
1-[2-[3-[(3-methoxyphenyl)sulfonyl-methylamino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea
CID 10217759
4-methoxy-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 4691018

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-[4-[(4-methoxyphenyl)sulfonyl-propylamino]piperidin-1-yl]ethyl]urea?
The IUPAC name of 1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-[4-[(4-methoxyphenyl)sulfonyl-propylamino]piperidin-1-yl]ethyl]urea (CID 11272334) is 1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-[4-[(4-methoxyphenyl)sulfonyl-propylamino]piperidin-1-yl]ethyl]urea.
What is the SMILES notation for 1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-[4-[(4-methoxyphenyl)sulfonyl-propylamino]piperidin-1-yl]ethyl]urea?
The canonical SMILES for 1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-[4-[(4-methoxyphenyl)sulfonyl-propylamino]piperidin-1-yl]ethyl]urea is CCCN(C1CCN(CCNC(=O)Nc2cc(C)nc(CC)c2)CC1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-[4-[(4-methoxyphenyl)sulfonyl-propylamino]piperidin-1-yl]ethyl]urea?
The InChIKey is YREDJZYMBRAYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O4S/c1-5-14-31(36(33,34)25-9-7-24(35-4)8-10-25)23-11-15-30(16-12-23)17-13-27-26(32)29-22-18-20(3)28-21(6-2)19-22/h7-10,18-19,23H,5-6,11-17H2,1-4H3,(H2,27,28,29,32).
What are the key properties of 1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-[4-[(4-methoxyphenyl)sulfonyl-propylamino]piperidin-1-yl]ethyl]urea?
1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-[4-[(4-methoxyphenyl)sulfonyl-propylamino]piperidin-1-yl]ethyl]urea has a molecular weight of 517.70 g/mol, XLogP of 3.65, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-[4-[(4-methoxyphenyl)sulfonyl-propylamino]piperidin-1-yl]ethyl]urea is sourced from PubChem (CID 11272334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).