[2-[2-[4-[furan-2-carbonyl-(6-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]phenyl]-propan-2-yltin

C27H33N3O2Sn — CID 176797460

IUPAC[2-[2-[4-[furan-2-carbonyl-(6-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]phenyl]-propan-2-yltin
SMILESCc1cccc(N(C(=O)c2ccco2)C2CCN(CCc3ccccc3[Sn]C(C)C)CC2)n1
InChIInChI=1S/C24H26N3O2.C3H7.Sn/c1-19-7-5-11-23(25-19)27(24(28)22-10-6-18-29-22)21-13-16-26(17-14-21)15-12-20-8-3-2-4-9-20;1-3-2;/h2-8,10-11,18,21H,12-17H2,1H3;3H,1-2H3;
InChIKeyLISSMAXZFBNLEV-UHFFFAOYSA-N
MW550.29 g/mol
LogP4.49
Rot. Bonds8

About [2-[2-[4-[furan-2-carbonyl-(6-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]phenyl]-propan-2-yltin

[2-[2-[4-[furan-2-carbonyl-(6-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]phenyl]-propan-2-yltin (PubChem CID 176797460) has the molecular formula C27H33N3O2Sn and a molecular weight of 550.29 g/mol. Its IUPAC name is [2-[2-[4-[furan-2-carbonyl-(6-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]phenyl]-propan-2-yltin.

Molecular Properties

Compound Name[2-[2-[4-[furan-2-carbonyl-(6-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]phenyl]-propan-2-yltin
PubChem CID176797460
Molecular FormulaC27H33N3O2Sn
Molecular Weight550.29 g/mol
Exact Mass551.16
IUPAC Name[2-[2-[4-[furan-2-carbonyl-(6-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]phenyl]-propan-2-yltin
SMILESCc1cccc(N(C(=O)c2ccco2)C2CCN(CCc3ccccc3[Sn]C(C)C)CC2)n1
InChIInChI=1S/C24H26N3O2.C3H7.Sn/c1-19-7-5-11-23(25-19)27(24(28)22-10-6-18-29-22)21-13-16-26(17-14-21)15-12-20-8-3-2-4-9-20;1-3-2;/h2-8,10-11,18,21H,12-17H2,1H3;3H,1-2H3;
InChIKeyLISSMAXZFBNLEV-UHFFFAOYSA-N
XLogP4.49
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.29
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[4-[furan-2-carbonyl-(6-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]phenyl]-propan-2-yltin?
The IUPAC name of [2-[2-[4-[furan-2-carbonyl-(6-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]phenyl]-propan-2-yltin (CID 176797460) is [2-[2-[4-[furan-2-carbonyl-(6-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]phenyl]-propan-2-yltin.
What is the SMILES notation for [2-[2-[4-[furan-2-carbonyl-(6-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]phenyl]-propan-2-yltin?
The canonical SMILES for [2-[2-[4-[furan-2-carbonyl-(6-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]phenyl]-propan-2-yltin is Cc1cccc(N(C(=O)c2ccco2)C2CCN(CCc3ccccc3[Sn]C(C)C)CC2)n1.
What is the InChIKey of [2-[2-[4-[furan-2-carbonyl-(6-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]phenyl]-propan-2-yltin?
The InChIKey is LISSMAXZFBNLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N3O2.C3H7.Sn/c1-19-7-5-11-23(25-19)27(24(28)22-10-6-18-29-22)21-13-16-26(17-14-21)15-12-20-8-3-2-4-9-20;1-3-2;/h2-8,10-11,18,21H,12-17H2,1H3;3H,1-2H3;.
What are the key properties of [2-[2-[4-[furan-2-carbonyl-(6-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]phenyl]-propan-2-yltin?
[2-[2-[4-[furan-2-carbonyl-(6-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]phenyl]-propan-2-yltin has a molecular weight of 550.29 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[4-[furan-2-carbonyl-(6-methyl-2-pyridinyl)amino]piperidin-1-yl]ethyl]phenyl]-propan-2-yltin is sourced from PubChem (CID 176797460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).