(5-amino-6-carbamoyl-2-pyridinyl)-(5-butylnonan-5-yl)tin

C19H33N3OSn — CID 176893776

IUPAC(5-amino-6-carbamoyl-2-pyridinyl)-(5-butylnonan-5-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1ccc(N)c(C(N)=O)n1
InChIInChI=1S/C13H27.C6H6N3O.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;7-4-2-1-3-9-5(4)6(8)10;/h4-12H2,1-3H3;1-2H,7H2,(H2,8,10);
InChIKeyWLTMJAVGNMAAGE-UHFFFAOYSA-N
MW438.20 g/mol
LogP3.82
Rot. Bonds12

About (5-amino-6-carbamoyl-2-pyridinyl)-(5-butylnonan-5-yl)tin

(5-amino-6-carbamoyl-2-pyridinyl)-(5-butylnonan-5-yl)tin (PubChem CID 176893776) has the molecular formula C19H33N3OSn and a molecular weight of 438.20 g/mol. Its IUPAC name is (5-amino-6-carbamoyl-2-pyridinyl)-(5-butylnonan-5-yl)tin.

Molecular Properties

Compound Name(5-amino-6-carbamoyl-2-pyridinyl)-(5-butylnonan-5-yl)tin
PubChem CID176893776
Molecular FormulaC19H33N3OSn
Molecular Weight438.20 g/mol
Exact Mass439.16
IUPAC Name(5-amino-6-carbamoyl-2-pyridinyl)-(5-butylnonan-5-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1ccc(N)c(C(N)=O)n1
InChIInChI=1S/C13H27.C6H6N3O.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;7-4-2-1-3-9-5(4)6(8)10;/h4-12H2,1-3H3;1-2H,7H2,(H2,8,10);
InChIKeyWLTMJAVGNMAAGE-UHFFFAOYSA-N
XLogP3.82
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.20
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-amino-6-carbamoyl-2-pyridinyl)-(5-butylnonan-5-yl)tin?
The IUPAC name of (5-amino-6-carbamoyl-2-pyridinyl)-(5-butylnonan-5-yl)tin (CID 176893776) is (5-amino-6-carbamoyl-2-pyridinyl)-(5-butylnonan-5-yl)tin.
What is the SMILES notation for (5-amino-6-carbamoyl-2-pyridinyl)-(5-butylnonan-5-yl)tin?
The canonical SMILES for (5-amino-6-carbamoyl-2-pyridinyl)-(5-butylnonan-5-yl)tin is CCCCC(CCCC)(CCCC)[Sn]c1ccc(N)c(C(N)=O)n1.
What is the InChIKey of (5-amino-6-carbamoyl-2-pyridinyl)-(5-butylnonan-5-yl)tin?
The InChIKey is WLTMJAVGNMAAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.C6H6N3O.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;7-4-2-1-3-9-5(4)6(8)10;/h4-12H2,1-3H3;1-2H,7H2,(H2,8,10);.
What are the key properties of (5-amino-6-carbamoyl-2-pyridinyl)-(5-butylnonan-5-yl)tin?
(5-amino-6-carbamoyl-2-pyridinyl)-(5-butylnonan-5-yl)tin has a molecular weight of 438.20 g/mol, XLogP of 3.82, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-6-carbamoyl-2-pyridinyl)-(5-butylnonan-5-yl)tin is sourced from PubChem (CID 176893776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).