5-butylnonan-5-yl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]tin

C23H40N2O2Sn — CID 162372933

IUPAC5-butylnonan-5-yl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1ncccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H27.C10H13N2O2.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-10(2,3)14-9(13)12-8-5-4-6-11-7-8;/h4-12H2,1-3H3;4-6H,1-3H3,(H,12,13);
InChIKeyUMGFEKONBXZGFP-UHFFFAOYSA-N
MW495.30 g/mol
LogP6.49
Rot. Bonds12

About 5-butylnonan-5-yl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]tin

5-butylnonan-5-yl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]tin (PubChem CID 162372933) has the molecular formula C23H40N2O2Sn and a molecular weight of 495.30 g/mol. Its IUPAC name is 5-butylnonan-5-yl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]tin.

Molecular Properties

Compound Name5-butylnonan-5-yl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]tin
PubChem CID162372933
Molecular FormulaC23H40N2O2Sn
Molecular Weight495.30 g/mol
Exact Mass496.21
IUPAC Name5-butylnonan-5-yl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1ncccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H27.C10H13N2O2.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-10(2,3)14-9(13)12-8-5-4-6-11-7-8;/h4-12H2,1-3H3;4-6H,1-3H3,(H,12,13);
InChIKeyUMGFEKONBXZGFP-UHFFFAOYSA-N
XLogP6.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.30
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butylnonan-5-yl-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]tin
CID 162372932
tert-butyl N-[2-(bromomethyl)-3-pyridinyl]carbamate
CID 133061112
tert-butyl N-(2-oxoazepin-3-yl)carbamate
CID 21224786
tert-butyl N-(2-ethynyl-3-pyridinyl)carbamate
CID 87248899
ethyl (E)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]prop-2-enoate
CID 175668642
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-[2-(2-hydrazinyl-2-oxoethyl)phenyl]carbamate;1-chloropentane
CID 175581046
tert-butyl N-(4-butoxy-2-methylphenyl)carbamate
CID 140675962
tert-butyl N-(8-hydroxyquinolin-5-yl)carbamate
CID 66916666
tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate
CID 102449138
ethyl (2R,3R)-2-amino-3-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate
CID 125458773
tert-butyl N-[2-(benzoylamino)phenyl]carbamate;yttrium;hydrate
CID 58001092

Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]tin?
The IUPAC name of 5-butylnonan-5-yl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]tin (CID 162372933) is 5-butylnonan-5-yl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]tin.
What is the SMILES notation for 5-butylnonan-5-yl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]tin?
The canonical SMILES for 5-butylnonan-5-yl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]tin is CCCCC(CCCC)(CCCC)[Sn]c1ncccc1NC(=O)OC(C)(C)C.
What is the InChIKey of 5-butylnonan-5-yl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]tin?
The InChIKey is UMGFEKONBXZGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.C10H13N2O2.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-10(2,3)14-9(13)12-8-5-4-6-11-7-8;/h4-12H2,1-3H3;4-6H,1-3H3,(H,12,13);.
What are the key properties of 5-butylnonan-5-yl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]tin?
5-butylnonan-5-yl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]tin has a molecular weight of 495.30 g/mol, XLogP of 6.49, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]tin is sourced from PubChem (CID 162372933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).